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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O4/c18-10-14(17(22)19-11-12-4-2-1-3-5-12)8-13-6-7-16(21)15(9-13)20(23)24/h1-9,21H,11H2,(H,19,22)/p-1/b14-8+