4-[(E)-2-cyano-3-[(4-ethoxycarbonylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-2-cyano-3-[(4-ethoxycarbonylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-(4-ethoxycarbonylanilino)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-(4-ethoxycarbonylanilino)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-(4-ethoxycarbonylanilino)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-3-(4-carbethoxyanilino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C20H16N3O7- MolecularWeight: 410.35694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O7/c1-3-30-20(26)13-4-6-15(7-5-13)22-19(25)14(11-21)8-12-9-16(23(27)28)18(24)17(10-12)29-2/h4-10,24H,3H2,1-2H3,(H,22,25)/p-1/b14-8+