[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C(C)NC(=O)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)[C@H](C)NC(=O)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O6/c1-12-8-9-14(10-16(12)22(26)27)17(23)11-28-18(24)13(2)20-19(25)21-15-6-4-3-5-7-15/h3-10,13H,11H2,1-2H3,(H2,20,21,25)/t13-/m0/s1