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

Systemtic Name: 4-[2-[(E)-(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]benzoic acid Openeye Name: 4-[2-[(E)-(3-methoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]benzoic acid CAS Name: 4-[[(E)-(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]hydrazo]benzoic acid IUPAC Name: 4-[2-[(E)-(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]benzoic acid Traditional Name: 4-[N'-[(E)-(4-keto-3-methoxy-5-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]benzoic acid Formula: C15H13N3O6 MolecularWeight: 331.28022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC2=CC=C(C=C2)C(=O)O)C=C(C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C/C(=C/NNC2=CC=C(C=C2)C(=O)O)/C=C(C1=O)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O6/c1-24-13-7-9(6-12(14(13)19)18(22)23)8-16-17-11-4-2-10(3-5-11)15(20)21/h2-8,16-17H,1H3,(H,20,21)/b9-8+