ethyl (E)-3-[4-[[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[[1-(4-bromophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]amino]phenyl]acrylic acid ethyl ester Formula: C22H20BrN3O3 MolecularWeight: 454.3165

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C22H20BrN3O3/c1-3-29-21(27)13-6-16-4-9-18(10-5-16)25-22(28)20-14-24-26(15(20)2)19-11-7-17(23)8-12-19/h4-14H,3H2,1-2H3,(H,25,28)/b13-6+