O1-tert-butyl O2-[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-[1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] (2S)-pyrrolidine-1,2-dicarboxylate CAS Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: 1-O-tert-butyl 2-O-[1-(3-nitroanilino)-1-oxopropan-2-yl] (2S)-pyrrolidine-1,2-dicarboxylate Traditional Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C19H25N3O7 MolecularWeight: 407.4177

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2CCCN2C(=O)OC(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C

InChI

InChI=1S/C19H25N3O7/c1-12(16(23)20-13-7-5-8-14(11-13)22(26)27)28-17(24)15-9-6-10-21(15)18(25)29-19(2,3)4/h5,7-8,11-12,15H,6,9-10H2,1-4H3,(H,20,23)/t12?,15-/m0/s1