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

Systemtic Name: 4-[(E)-2-cyano-3-[(4-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-(4-ethoxyanilino)-3-oxo-prop-1-enyl]-2-ethoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-(4-ethoxyanilino)-3-oxoprop-1-enyl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-(4-ethoxyanilino)-3-oxoprop-1-enyl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-keto-3-(p-phenetidino)prop-1-enyl]-2-ethoxy-6-nitro-phenolate Formula: C20H18N3O6- MolecularWeight: 396.37342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C(=C2)OCC)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C(=C2)OCC)[O-])[N+](=O)[O-])/C#N

InChI

InChI=1S/C20H19N3O6/c1-3-28-16-7-5-15(6-8-16)22-20(25)14(12-21)9-13-10-17(23(26)27)19(24)18(11-13)29-4-2/h5-11,24H,3-4H2,1-2H3,(H,22,25)/p-1/b14-9+