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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6/c1-12-5-4-6-16(9-12)19(24)21-14(3)20(25)28-11-18(23)15-8-7-13(2)17(10-15)22(26)27/h4-10,14H,11H2,1-3H3,(H,21,24)/t14-/m0/s1