4-[[[(E)-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[(E)-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]methyl]benzoic acid Openeye Name: 4-[[[(E)-(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]amino]methyl]benzoic acid CAS Name: 4-[[[(E)-(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[(E)-(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]methyl]benzoic acid Traditional Name: 4-[[[(E)-(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]amino]methyl]benzoic acid Formula: C15H12N2O5 MolecularWeight: 300.26618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC=C2C=CC(=O)C(=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN/C=C/2\C=CC(=O)C(=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H12N2O5/c18-14-6-3-11(7-13(14)17(21)22)9-16-8-10-1-4-12(5-2-10)15(19)20/h1-7,9,16H,8H2,(H,19,20)/b11-9+