[2-(3-bromophenyl)-2-oxidanylidene-ethyl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(1,3,5-trimethyl-4-pyrazolyl)-2-propenoic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1,3,5-trimethylpyrazol-4-yl)acrylic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C17H17BrN2O3 MolecularWeight: 377.23248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C=CC(=O)OCC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CC1=C(C(=NN1C)C)/C=C/C(=O)OCC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C17H17BrN2O3/c1-11-15(12(2)20(3)19-11)7-8-17(22)23-10-16(21)13-5-4-6-14(18)9-13/h4-9H,10H2,1-3H3/b8-7+