methyl 5-chloranyl-2-[(Z)-2-imidazol-1-yl-4-(4-methylphenyl)-4-oxidanylidene-but-1-enyl]benzoate

Systemtic Name: methyl 5-chloranyl-2-[(Z)-2-imidazol-1-yl-4-(4-methylphenyl)-4-oxidanylidene-but-1-enyl]benzoate Openeye Name: methyl 5-chloro-2-[(Z)-2-imidazol-1-yl-4-oxo-4-(p-tolyl)but-1-enyl]benzoate CAS Name: 5-chloro-2-[(Z)-2-(1-imidazolyl)-4-(4-methylphenyl)-4-oxobut-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 5-chloro-2-[(Z)-2-imidazol-1-yl-4-(4-methylphenyl)-4-oxobut-1-enyl]benzoate Traditional Name: 5-chloro-2-[(Z)-2-imidazol-1-yl-4-keto-4-(p-tolyl)but-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)CC(=CC2=C(C=C(C=C2)Cl)C(=O)OC)N3C=CN=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C/C(=C/C2=C(C=C(C=C2)Cl)C(=O)OC)/N3C=CN=C3

InChI

InChI=1S/C22H19ClN2O3/c1-15-3-5-16(6-4-15)21(26)13-19(25-10-9-24-14-25)11-17-7-8-18(23)12-20(17)22(27)28-2/h3-12,14H,13H2,1-2H3/b19-11-