[(2R)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: [(2R)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-[(2-nitrophenyl)amino]butanoate Openeye Name: [(1R)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid [(1R)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@@H](C)OC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c1-14-7-5-8-16(13-14)22-20(25)15(2)28-19(24)11-6-12-21-17-9-3-4-10-18(17)23(26)27/h3-5,7-10,13,15,21H,6,11-12H2,1-2H3,(H,22,25)/t15-/m1/s1