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

Systemtic Name: 4-[(E)-3-[(4-acetamidophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-3-(4-acetamidoanilino)-2-cyano-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-3-(4-acetamidoanilino)-2-cyano-3-oxoprop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-3-(4-acetamidoanilino)-2-cyano-3-oxoprop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-3-(4-acetamidoanilino)-2-cyano-3-keto-prop-1-enyl]-2-nitro-phenolate Formula: C18H13N4O5- MolecularWeight: 365.31962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)[O-])[N+](=O)[O-])/C#N

InChI

InChI=1S/C18H14N4O5/c1-11(23)20-14-3-5-15(6-4-14)21-18(25)13(10-19)8-12-2-7-17(24)16(9-12)22(26)27/h2-9,24H,1H3,(H,20,23)(H,21,25)/p-1/b13-8+