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

Systemtic Name: [2-oxidanylidene-2-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-oxo-2-[4-(2-oxo-1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-keto-2-[4-(2-ketopyrrolidino)anilino]ethyl] ester Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3=O)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3=O)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6/c1-23(2)17-10-5-14(12-18(17)25(29)30)21(28)31-13-19(26)22-15-6-8-16(9-7-15)24-11-3-4-20(24)27/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,26)