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

Systemtic Name: 4-[(6E)-2-azanyl-3-cyano-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]cyclohexane-1-carboxylic acid Openeye Name: 4-[(6E)-2-amino-3-cyano-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]cyclohexanecarboxylic acid CAS Name: 4-[(6E)-2-amino-3-cyano-6-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyridin-4-yl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[(6E)-2-amino-3-cyano-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]cyclohexane-1-carboxylic acid Traditional Name: 4-[(6E)-2-amino-3-cyano-6-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]cyclohexanecarboxylic acid Formula: C19H19N3O3 MolecularWeight: 337.37246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC(=C3C=CC=CC3=O)NC(=C2C#N)N)C(=O)O

Isomeric SMILES

C1CC(CCC1C2=C/C(=C\3/C=CC=CC3=O)/NC(=C2C#N)N)C(=O)O

InChI

InChI=1S/C19H19N3O3/c20-10-15-14(11-5-7-12(8-6-11)19(24)25)9-16(22-18(15)21)13-3-1-2-4-17(13)23/h1-4,9,11-12,22H,5-8,21H2,(H,24,25)/b16-13+