2-[[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]methyl]-3-(4-methoxycarbonylphenyl)prop-2-enoic acid

Systemtic Name: 2-[[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]methyl]-3-(4-methoxycarbonylphenyl)prop-2-enoic acid Openeye Name: 2-[[1-(4-bromophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-methoxycarbonylphenyl)prop-2-enoic acid CAS Name: 2-[[1-(4-bromophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-methoxycarbonylphenyl)-2-propenoic acid IUPAC Name: 2-[[1-(4-bromophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-methoxycarbonylphenyl)prop-2-enoic acid Traditional Name: 2-[[1-(4-bromophenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]methyl]-3-(4-carbomethoxyphenyl)acrylic acid Formula: C22H19BrN2O5 MolecularWeight: 471.30066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)C(=O)OC)C(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)C(=O)OC)C(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H19BrN2O5/c1-13-19(20(26)25(24-13)18-9-7-17(23)8-10-18)12-16(21(27)28)11-14-3-5-15(6-4-14)22(29)30-2/h3-11,19H,12H2,1-2H3,(H,27,28)