1-(3-bromophenyl)-3-(4-methoxycarbonylphenyl)-5-propyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-bromophenyl)-3-(4-methoxycarbonylphenyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-bromophenyl)-3-(4-methoxycarbonylphenyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-bromophenyl)-3-(4-methoxycarbonylphenyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-bromophenyl)-3-(4-methoxycarbonylphenyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(3-bromophenyl)-3-(4-carbomethoxyphenyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C21H19BrN2O4 MolecularWeight: 443.29056

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC(=CC=C2)Br)C3=CC=C(C=C3)C(=O)OC)C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC(=CC=C2)Br)C3=CC=C(C=C3)C(=O)OC)C(=O)O

InChI

InChI=1S/C21H19BrN2O4/c1-3-5-17-18(20(25)26)19(13-8-10-14(11-9-13)21(27)28-2)23-24(17)16-7-4-6-15(22)12-16/h4,6-12H,3,5H2,1-2H3,(H,25,26)