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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(C(=C(N2)N)C#N)C3=CC=C(C=C3)C(=O)[O-])C(=O)C=C1.[Na+]

Isomeric SMILES

C1=C/C(=C\2/C=C(C(=C(N2)N)C#N)C3=CC=C(C=C3)C(=O)[O-])/C(=O)C=C1.[Na+]

InChI

InChI=1S/C19H13N3O3.Na/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;/h1-9,22H,21H2,(H,24,25);/q;+1/p-1/b16-13+;