[2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl] ester Formula: C19H20N4O6 MolecularWeight: 400.3853

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O6/c1-20-19(26)21-17(24)16(12-7-5-4-6-8-12)29-18(25)13-9-10-14(22(2)3)15(11-13)23(27)28/h4-11,16H,1-3H3,(H2,20,21,24,26)