[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] (E)-3-(2-methylphenyl)prop-2-enoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] (E)-3-(2-methylphenyl)prop-2-enoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] (E)-3-(o-tolyl)prop-2-enoate CAS Name: (E)-3-(2-methylphenyl)-2-propenoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(o-tolyl)acrylic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C19H17NO5 MolecularWeight: 339.34198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C=CC2=CC=CC=C2C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)/C=C/C2=CC=CC=C2C)[N+](=O)[O-]

InChI

InChI=1S/C19H17NO5/c1-13-5-3-4-6-15(13)9-10-19(22)25-12-18(21)16-8-7-14(2)17(11-16)20(23)24/h3-11H,12H2,1-2H3/b10-9+