(4-bromophenyl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate

Systemtic Name: (4-bromophenyl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate Openeye Name: (4-bromophenyl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(1,3,5-trimethyl-4-pyrazolyl)-2-propenoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1,3,5-trimethylpyrazol-4-yl)acrylic acid (4-bromobenzyl) ester Formula: C16H17BrN2O2 MolecularWeight: 349.22238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C=CC(=O)OCC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=C(C(=NN1C)C)/C=C/C(=O)OCC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H17BrN2O2/c1-11-15(12(2)19(3)18-11)8-9-16(20)21-10-13-4-6-14(17)7-5-13/h4-9H,10H2,1-3H3/b9-8+