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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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