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

Systemtic Name: sodium 2-[(6E)-2-azanyl-3-cyano-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]benzoate Openeye Name: sodium 2-[(6E)-2-amino-3-cyano-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]benzoate CAS Name: sodium 2-[(6E)-2-amino-3-cyano-6-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyridin-4-yl]benzoate IUPAC Name: sodium 2-[(6E)-2-amino-3-cyano-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]benzoate Traditional Name: sodium 2-[(6E)-2-amino-3-cyano-6-(6-ketocyclohexa-2,4-dien-1-ylidene)-1H-pyridin-4-yl]benzoate Formula: C19H12N3NaO3 MolecularWeight: 353.30665

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC(=C3C=CC=CC3=O)NC(=C2C#N)N)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C2=C/C(=C\3/C=CC=CC3=O)/NC(=C2C#N)N)C(=O)[O-].[Na+]

InChI

InChI=1S/C19H13N3O3.Na/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);/q;+1/p-1/b16-13+;