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

Systemtic Name: [(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [(1S)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [(1S)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C19H20N4O6 MolecularWeight: 400.3853

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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)NC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)O[C@@H](C)C(=O)NC1=CC=CC=C1[N+](=O)[O-])NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C19H20N4O6/c1-12(20-19(26)21-14-8-4-3-5-9-14)18(25)29-13(2)17(24)22-15-10-6-7-11-16(15)23(27)28/h3-13H,1-2H3,(H,22,24)(H2,20,21,26)/t12-,13-/m0/s1