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

Systemtic Name: [(Z)-2-cyano-3-(dimethylamino)-1-(4-methyl-2-nitro-phenyl)-3-oxidanylidene-prop-1-enyl] 4-methyl-2-nitro-benzoate Openeye Name: [(Z)-2-cyano-3-(dimethylamino)-1-(4-methyl-2-nitro-phenyl)-3-oxo-prop-1-enyl] 4-methyl-2-nitro-benzoate CAS Name: 4-methyl-2-nitrobenzoic acid [(Z)-2-cyano-3-(dimethylamino)-1-(4-methyl-2-nitrophenyl)-3-oxoprop-1-enyl] ester IUPAC Name: [(Z)-2-cyano-3-(dimethylamino)-1-(4-methyl-2-nitrophenyl)-3-oxoprop-1-enyl] 4-methyl-2-nitrobenzoate Traditional Name: 4-methyl-2-nitro-benzoic acid [(Z)-2-cyano-3-(dimethylamino)-3-keto-1-(4-methyl-2-nitro-phenyl)prop-1-enyl] ester Formula: C21H18N4O7 MolecularWeight: 438.39022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=C(C#N)C(=O)N(C)C)OC(=O)C2=C(C=C(C=C2)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)/C(=C(\C#N)/C(=O)N(C)C)/OC(=O)C2=C(C=C(C=C2)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O7/c1-12-5-7-14(17(9-12)24(28)29)19(16(11-22)20(26)23(3)4)32-21(27)15-8-6-13(2)10-18(15)25(30)31/h5-10H,1-4H3/b19-16-