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

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(aminocarbonylamino)propanoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] (2S)-2-ureidopropanoate CAS Name: (2S)-2-(carbamoylamino)propanoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] (2S)-2-(carbamoylamino)propanoate Traditional Name: (2S)-2-ureidopropionic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C13H16N4O6 MolecularWeight: 324.28934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O6/c1-7(15-13(14)20)12(19)23-8(2)11(18)16-9-4-3-5-10(6-9)17(21)22/h3-8H,1-2H3,(H,16,18)(H3,14,15,20)/t7-,8?/m0/s1