4-[(E)-2-cyano-3-[(3-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate

Systemtic Name: 4-[(E)-2-cyano-3-[(3-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-(3-methylanilino)-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-keto-3-(m-toluidino)prop-1-enyl]-2-nitro-phenolate Formula: C17H12N3O4- MolecularWeight: 322.29488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)[O-])[N+](=O)[O-])/C#N

InChI

InChI=1S/C17H13N3O4/c1-11-3-2-4-14(7-11)19-17(22)13(10-18)8-12-5-6-16(21)15(9-12)20(23)24/h2-9,21H,1H3,(H,19,22)/p-1/b13-8+