[1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(4-methoxyphenyl)-1-methyl-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 [1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxyphenyl)-1-oxopropan-2-yl] (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-keto-2-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C23H21ClN2O4 MolecularWeight: 424.87684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN2O4/c1-15-20(23(24)26(25-15)18-7-5-4-6-8-18)13-14-21(27)30-16(2)22(28)17-9-11-19(29-3)12-10-17/h4-14,16H,1-3H3/b14-13+