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

Systemtic Name: [(2R)-1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 4-[(2-nitrophenyl)amino]butanoate Openeye Name: [(1R)-2-(4-acetamidophenyl)-1-methyl-2-oxo-ethyl] 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid [(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid [(1R)-2-(4-acetamidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6/c1-14(21(27)16-9-11-17(12-10-16)23-15(2)25)30-20(26)8-5-13-22-18-6-3-4-7-19(18)24(28)29/h3-4,6-7,9-12,14,22H,5,8,13H2,1-2H3,(H,23,25)/t14-/m1/s1