[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-acetamidopropanoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-acetamidopropanoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] (2S)-2-acetamidopropanoate CAS Name: (2S)-2-acetamidopropanoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] (2S)-2-acetamidopropanoate Traditional Name: (2S)-2-acetamidopropionic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C14H17N3O6 MolecularWeight: 323.30128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O6/c1-8(15-10(3)18)14(20)23-9(2)13(19)16-11-5-4-6-12(7-11)17(21)22/h4-9H,1-3H3,(H,15,18)(H,16,19)/t8-,9?/m0/s1