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

Systemtic Name: phenacyl (E)-3-[5-chloranyl-1-[(3-methoxyphenyl)methyl]-3-methyl-pyrazol-4-yl]prop-2-enoate Openeye Name: phenacyl (E)-3-[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-4-pyrazolyl]-2-propenoic acid phenacyl ester IUPAC Name: phenacyl (E)-3-[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-(5-chloro-1-m-anisyl-3-methyl-pyrazol-4-yl)acrylic acid phenacyl ester Formula: C23H21ClN2O4 MolecularWeight: 424.87684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC(=O)C2=CC=CC=C2)Cl)CC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC(=O)C2=CC=CC=C2)Cl)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C23H21ClN2O4/c1-16-20(11-12-22(28)30-15-21(27)18-8-4-3-5-9-18)23(24)26(25-16)14-17-7-6-10-19(13-17)29-2/h3-13H,14-15H2,1-2H3/b12-11+