[(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(2-methylphenyl)prop-2-enoate

Systemtic Name: [(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(2-methylphenyl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] (E)-3-(o-tolyl)prop-2-enoate CAS Name: (E)-3-(2-methylphenyl)-2-propenoic acid [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] (E)-3-(2-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(o-tolyl)acrylic acid [(1S)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O5/c1-13-7-3-4-8-15(13)11-12-18(22)26-14(2)19(23)20-16-9-5-6-10-17(16)21(24)25/h3-12,14H,1-2H3,(H,20,23)/b12-11+/t14-/m0/s1