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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C19H18N2O6 MolecularWeight: 370.35602

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O6/c1-12-8-9-15(10-16(12)21(25)26)17(22)11-27-19(24)13(2)20-18(23)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,20,23)/t13-/m0/s1