Viewing Compound With Structures

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Compound Report Overview

Compound Name: ICX5609025
Compound Identifier: 707986
Mol Structure 2D: 707986
Molecular Weight: 316
Formula: C16 H16 N2 O5
Development Status: Laboratory Testing
SMILES: Oc1cc(CC2NCCc3cc(O)c(O)cc23)ccc1[N+](=O)[O-]
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100221402D 0 0.00000 0.00000 0^^ 23 25 0 0 0 999 V2000^ 5.8500 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.1375 -2.0458 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.5667 -2.0458 0.0000 C 0 0 3 0 0 0 0 0 0^ 5.8542 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.4208 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.1375 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.4208 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.2875 -1.6333 0.0000 N 0 0 0 0 0 0 0 0 0^ 6.5667 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.7000 -2.0458 0.0000 O 0 0 0 0 0 0 0 0 0^ 7.2875 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.7042 -0.3792 0.0000 O 0 0 0 0 0 0 0 0 0^ 6.5708 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.2811 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.2764 -4.1136 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.9900 -4.5260 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.7055 -4.1134 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.7028 -3.2842 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.9886 -2.8755 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.4158 -2.8692 0.0000 N 0 3 0 0 0 0 0 0 0^ 10.1318 -3.2791 0.0000 O 0 0 0 0 0 0 0 0 0^ 9.4205 -4.5250 0.0000 O 0 0 0 0 0 0 0 0 0^ 9.4129 -2.0442 0.0000 O 0 5 0 0 0 0 0 0 0^ 11 8 1 0 0 0^ 12 7 1 0 0 0^ 13 11 1 0 0 0^ 13 4 1 0 0 0^ 7 5 2 0 0 0^ 9 14 1 0 0 0^ 1 3 1 0 0 0^ 14 15 2 0 0 0^ 2 1 2 0 0 0^ 15 16 1 0 0 0^ 3 9 1 0 0 0^ 16 17 2 0 0 0^ 4 1 1 0 0 0^ 17 18 1 0 0 0^ 5 2 1 0 0 0^ 18 19 2 0 0 0^ 19 14 1 0 0 0^ 6 4 2 0 0 0^ 18 20 1 0 0 0^ 7 6 1 0 0 0^ 20 21 2 0 0 0^ 8 3 1 0 0 0^ 17 22 1 0 0 0^ 10 5 1 0 0 0^ 20 23 1 0 0 0^M CHG 2 20 1 23 -1^M END^^
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