[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (E)-3-(3-chloro-4-methyl-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-4-methylphenyl)-2-propenoic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (E)-3-(3-chloro-4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-4-methyl-phenyl)acrylic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H19ClN2O3/c1-15-7-8-16(13-18(15)22)9-10-21(26)27-14-20(25)24-12-11-19(23-24)17-5-3-2-4-6-17/h2-10,13H,11-12,14H2,1H3/b10-9+