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

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] (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-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1,3,5-trimethylpyrazol-4-yl)acrylic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C19H21BrN2O3 MolecularWeight: 405.28564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O3/c1-13-17(14(2)22(3)21-13)10-11-19(24)25-12-4-5-18(23)15-6-8-16(20)9-7-15/h6-11H,4-5,12H2,1-3H3/b11-10+