(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 2-[4-(methylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]benzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 2-[4-(methylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(methylamino)-3-nitro-benzoyl]benzoic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c1-22-17-9-8-14(12-18(17)24(28)29)20(26)15-6-2-3-7-16(15)21(27)30-13-19(25)23-10-4-5-11-23/h2-3,6-9,12,22H,4-5,10-11,13H2,1H3