O1-tert-butyl O2-[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-[2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] (2S)-pyrrolidine-1,2-dicarboxylate CAS Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: 1-O-tert-butyl 2-O-[2-(2-methyl-6-nitroanilino)-2-oxoethyl] (2S)-pyrrolidine-1,2-dicarboxylate Traditional Name: (2S)-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C19H25N3O7 MolecularWeight: 407.4177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C2CCCN2C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C

InChI

InChI=1S/C19H25N3O7/c1-12-7-5-8-13(22(26)27)16(12)20-15(23)11-28-17(24)14-9-6-10-21(14)18(25)29-19(2,3)4/h5,7-8,14H,6,9-11H2,1-4H3,(H,20,23)/t14-/m0/s1