[(2S)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: [(2S)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [(1S)-1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-(2-oxo-1-pyrrolidinyl)benzoic acid [(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-(2-ketopyrrolidino)benzoic acid [(1S)-2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C20H19N3O6/c1-13(19(25)21-15-6-10-17(11-7-15)23(27)28)29-20(26)14-4-8-16(9-5-14)22-12-2-3-18(22)24/h4-11,13H,2-3,12H2,1H3,(H,21,25)/t13-/m0/s1