methyl 5-chloranyl-2-[(E)-3-[3-(4-methylphenyl)carbonylpyrazol-1-yl]prop-1-enyl]benzoate

Systemtic Name: methyl 5-chloranyl-2-[(E)-3-[3-(4-methylphenyl)carbonylpyrazol-1-yl]prop-1-enyl]benzoate Openeye Name: methyl 5-chloro-2-[(E)-3-[3-(4-methylbenzoyl)pyrazol-1-yl]prop-1-enyl]benzoate CAS Name: 5-chloro-2-[(E)-3-[3-[(4-methylphenyl)-oxomethyl]-1-pyrazolyl]prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 5-chloro-2-[(E)-3-[3-(4-methylbenzoyl)pyrazol-1-yl]prop-1-enyl]benzoate Traditional Name: 5-chloro-2-[(E)-3-(3-p-toluoylpyrazol-1-yl)prop-1-enyl]benzoic acid methyl ester Formula: C22H19ClN2O3 MolecularWeight: 394.85086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN2O3/c1-15-5-7-17(8-6-15)21(26)20-11-13-25(24-20)12-3-4-16-9-10-18(23)14-19(16)22(27)28-2/h3-11,13-14H,12H2,1-2H3/b4-3+