[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: [(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid [(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O5/c1-13-4-3-5-16(12-13)20-19(23)14(2)26-18(22)11-8-15-6-9-17(10-7-15)21(24)25/h3-12,14H,1-2H3,(H,20,23)/b11-8+/t14-/m0/s1