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

Systemtic Name: [2-oxidanylidene-2-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-oxo-2-[3-(2-oxo-1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-keto-2-[3-(2-ketopyrrolidino)anilino]ethyl] ester Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC(=CC=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)N(C1)C2=CC(=CC=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O6/c27-20(24-16-3-1-4-17(12-16)25-10-2-5-21(25)28)13-32-22(29)14-6-9-18(23-15-7-8-15)19(11-14)26(30)31/h1,3-4,6,9,11-12,15,23H,2,5,7-8,10,13H2,(H,24,27)