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

Systemtic Name: 2-[[1-(4-bromophenyl)-3-ethyl-5-oxidanylidene-4H-pyrazol-4-yl]methyl]-3-(4-methoxycarbonylphenyl)prop-2-enoic acid Openeye Name: 2-[[1-(4-bromophenyl)-3-ethyl-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-methoxycarbonylphenyl)prop-2-enoic acid CAS Name: 2-[[1-(4-bromophenyl)-3-ethyl-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-methoxycarbonylphenyl)-2-propenoic acid IUPAC Name: 2-[[1-(4-bromophenyl)-3-ethyl-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-methoxycarbonylphenyl)prop-2-enoic acid Traditional Name: 2-[[1-(4-bromophenyl)-3-ethyl-5-keto-2-pyrazolin-4-yl]methyl]-3-(4-carbomethoxyphenyl)acrylic acid Formula: C23H21BrN2O5 MolecularWeight: 485.32724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)C(=O)OC)C(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)C(=O)OC)C(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H21BrN2O5/c1-3-20-19(21(27)26(25-20)18-10-8-17(24)9-11-18)13-16(22(28)29)12-14-4-6-15(7-5-14)23(30)31-2/h4-12,19H,3,13H2,1-2H3,(H,28,29)