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

Systemtic Name: [(2R)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 4-[(2-nitrophenyl)amino]butanoate Openeye Name: [(1R)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid [(1R)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H23N3O5 MolecularWeight: 337.37092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)CCCNC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC(C)C)OC(=O)CCCNC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O5/c1-11(2)18-16(21)12(3)24-15(20)9-6-10-17-13-7-4-5-8-14(13)19(22)23/h4-5,7-8,11-12,17H,6,9-10H2,1-3H3,(H,18,21)/t12-/m1/s1