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

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (E)-3-(4-bromophenyl)prop-2-enoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (E)-3-(4-bromophenyl)prop-2-enoate CAS Name: (E)-3-(4-bromophenyl)-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-(4-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(4-bromophenyl)acrylic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C20H17BrN2O3 MolecularWeight: 413.26458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)COC(=O)C=CC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)COC(=O)/C=C/C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H17BrN2O3/c21-17-9-6-15(7-10-17)8-11-20(25)26-14-19(24)23-13-12-18(22-23)16-4-2-1-3-5-16/h1-11H,12-14H2/b11-8+