3-[[(Z)-(5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid

Systemtic Name: 3-[[(Z)-(5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid Openeye Name: 3-[[(Z)-(5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid CAS Name: 3-[[(Z)-(5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]benzoic acid IUPAC Name: 3-[[(Z)-(5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid Traditional Name: 3-[[(Z)-(6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzoic acid Formula: C14H10N2O5 MolecularWeight: 286.2396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N2O5/c17-13-10(4-2-6-12(13)16(20)21)8-15-11-5-1-3-9(7-11)14(18)19/h1-8,15H,(H,18,19)/b10-8-