[2-oxidanylidene-2-[[2-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[2-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-oxo-2-[2-(2-oxo-1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-keto-2-[2-(2-ketopyrrolidino)anilino]ethyl] ester Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2N3CCCC3=O)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2N3CCCC3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6/c1-21-14-9-8-13(11-17(14)24(28)29)20(27)30-12-18(25)22-15-5-2-3-6-16(15)23-10-4-7-19(23)26/h2-3,5-6,8-9,11,21H,4,7,10,12H2,1H3,(H,22,25)