3-[(6E)-2-azanyl-3-cyano-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]benzoic acid

Systemtic Name: 3-[(6E)-2-azanyl-3-cyano-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]benzoic acid Openeye Name: 3-[(6E)-2-amino-3-cyano-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]benzoic acid CAS Name: 3-[(6E)-2-amino-3-cyano-6-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyridin-4-yl]benzoic acid IUPAC Name: 3-[(6E)-2-amino-3-cyano-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]benzoic acid Traditional Name: 3-[(6E)-2-amino-3-cyano-6-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]benzoic acid Formula: C19H13N3O3 MolecularWeight: 331.32482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(C(=C(N2)N)C#N)C3=CC(=CC=C3)C(=O)O)C(=O)C=C1

Isomeric SMILES

C1=C/C(=C\2/C=C(C(=C(N2)N)C#N)C3=CC(=CC=C3)C(=O)O)/C(=O)C=C1

InChI

InChI=1S/C19H13N3O3/c20-10-15-14(11-4-3-5-12(8-11)19(24)25)9-16(22-18(15)21)13-6-1-2-7-17(13)23/h1-9,22H,21H2,(H,24,25)/b16-13+