[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-propenoic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acrylic acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C23H21ClN2O5 MolecularWeight: 440.87624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC(=O)C2=C(C=CC(=C2)OC)OC)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC(=O)C2=C(C=CC(=C2)OC)OC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C23H21ClN2O5/c1-15-18(23(24)26(25-15)16-7-5-4-6-8-16)10-12-22(28)31-14-20(27)19-13-17(29-2)9-11-21(19)30-3/h4-13H,14H2,1-3H3/b12-10+