5-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[[1-[(4-bromophenyl)methyl]-3-pyrazolyl]amino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[[1-(4-bromobenzyl)pyrazol-3-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C16H14BrN5O3 MolecularWeight: 404.21806

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=NN(C=C2)CC3=CC=C(C=C3)Br

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=NN(C=C2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H14BrN5O3/c1-21-14(12(8-18-21)16(24)25)15(23)19-13-6-7-22(20-13)9-10-2-4-11(17)5-3-10/h2-8H,9H2,1H3,(H,24,25)(H,19,20,23)