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

Systemtic Name: 2-[(6E)-2-azanyl-3-cyano-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]benzoic acid Openeye Name: 2-[(6E)-2-amino-3-cyano-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]benzoic acid CAS Name: 2-[(6E)-2-amino-3-cyano-6-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyridin-4-yl]benzoic acid IUPAC Name: 2-[(6E)-2-amino-3-cyano-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]benzoic acid Traditional Name: 2-[(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=C(C(=C1)C2=CC(=C3C=CC=CC3=O)NC(=C2C#N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C/C(=C\3/C=CC=CC3=O)/NC(=C2C#N)N)C(=O)O

InChI

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