[(Z)-1-(4-chloranyl-2-nitro-phenyl)-2-cyano-3-(dimethylamino)-3-oxidanylidene-prop-1-enyl] benzoate

Systemtic Name: [(Z)-1-(4-chloranyl-2-nitro-phenyl)-2-cyano-3-(dimethylamino)-3-oxidanylidene-prop-1-enyl] benzoate Openeye Name: [(Z)-1-(4-chloro-2-nitro-phenyl)-2-cyano-3-(dimethylamino)-3-oxo-prop-1-enyl] benzoate CAS Name: benzoic acid [(Z)-1-(4-chloro-2-nitrophenyl)-2-cyano-3-(dimethylamino)-3-oxoprop-1-enyl] ester IUPAC Name: [(Z)-1-(4-chloro-2-nitrophenyl)-2-cyano-3-(dimethylamino)-3-oxoprop-1-enyl] benzoate Traditional Name: benzoic acid [(Z)-1-(4-chloro-2-nitro-phenyl)-2-cyano-3-(dimethylamino)-3-keto-prop-1-enyl] ester Formula: C19H14ClN3O5 MolecularWeight: 399.78456

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(=C(C1=C(C=C(C=C1)Cl)[N+](=O)[O-])OC(=O)C2=CC=CC=C2)C#N

Isomeric SMILES

CN(C)C(=O)/C(=C(/C1=C(C=C(C=C1)Cl)[N+](=O)[O-])\OC(=O)C2=CC=CC=C2)/C#N

InChI

InChI=1S/C19H14ClN3O5/c1-22(2)18(24)15(11-21)17(28-19(25)12-6-4-3-5-7-12)14-9-8-13(20)10-16(14)23(26)27/h3-10H,1-2H3/b17-15-