[2-(dimethylamino)-2-oxidanylidene-ethyl] (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] (E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C22H20BrN3O3 MolecularWeight: 454.3165

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)COC(=O)C=CC1=CN(N=C1C2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)COC(=O)/C=C/C1=CN(N=C1C2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C22H20BrN3O3/c1-25(2)20(27)15-29-21(28)13-10-17-14-26(19-6-4-3-5-7-19)24-22(17)16-8-11-18(23)12-9-16/h3-14H,15H2,1-2H3/b13-10+