[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-[4-(dimethylamino)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-[4-(dimethylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 2-[4-(dimethylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(dimethylamino)-3-nitrophenyl]-oxomethyl]benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 2-[4-(dimethylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(dimethylamino)-3-nitro-benzoyl]benzoic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c1-23(2)17-10-7-13(11-18(17)24(28)29)20(26)15-5-3-4-6-16(15)21(27)30-12-19(25)22-14-8-9-14/h3-7,10-11,14H,8-9,12H2,1-2H3,(H,22,25)