[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C20H19NO5/c1-13-9-15(3)18(10-14(13)2)19(22)12-26-20(23)8-7-16-5-4-6-17(11-16)21(24)25/h4-11H,12H2,1-3H3/b8-7+