methyl (E)-3-[2-(4-chlorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]but-2-enoate

Systemtic Name: methyl (E)-3-[2-(4-chlorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]but-2-enoate Openeye Name: methyl (E)-3-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]but-2-enoate CAS Name: (E)-3-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-3-[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]but-2-enoate Traditional Name: (E)-3-[1-(4-chlorophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]but-2-enoic acid methyl ester Formula: C15H15ClN2O3 MolecularWeight: 306.7442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)Cl)C(=CC(=O)OC)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)Cl)/C(=C/C(=O)OC)/C

InChI

InChI=1S/C15H15ClN2O3/c1-9(8-13(19)21-3)14-10(2)17-18(15(14)20)12-6-4-11(16)5-7-12/h4-8,17H,1-3H3/b9-8+