[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,4,5-trimethoxyphenyl)-2-propenoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-asarylacrylic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C21H21NO8 MolecularWeight: 415.39334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C=CC2=CC(=C(C=C2OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)/C=C/C2=CC(=C(C=C2OC)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H21NO8/c1-13-5-6-14(9-16(13)22(25)26)17(23)12-30-21(24)8-7-15-10-19(28-3)20(29-4)11-18(15)27-2/h5-11H,12H2,1-4H3/b8-7+