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

Systemtic Name: [2-oxidanylidene-2-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-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] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-keto-2-[4-(2-ketopyrrolidino)anilino]ethyl] ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C20H19N3O6/c1-13-4-2-5-16(19(13)23(27)28)20(26)29-12-17(24)21-14-7-9-15(10-8-14)22-11-3-6-18(22)25/h2,4-5,7-10H,3,6,11-12H2,1H3,(H,21,24)