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

Systemtic Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: [(1S)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid [(1S)-2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO5/c1-13-4-8-17(12-14(13)2)20(23)15(3)26-19(22)11-7-16-5-9-18(10-6-16)21(24)25/h4-12,15H,1-3H3/b11-7+/t15-/m0/s1