1-[1-[[4-bromanyl-1-[(4-bromophenyl)methyl]pyrazol-3-yl]amino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[1-[[4-bromanyl-1-[(4-bromophenyl)methyl]pyrazol-3-yl]amino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid Openeye Name: 1-[2-[[4-bromo-1-[(4-bromophenyl)methyl]pyrazol-3-yl]amino]-1-methyl-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[1-[[4-bromo-1-[(4-bromophenyl)methyl]-3-pyrazolyl]amino]-1-oxopropan-2-yl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[1-[[4-bromo-1-[(4-bromophenyl)methyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid Traditional Name: 1-[2-[[4-bromo-1-(4-bromobenzyl)pyrazol-3-yl]amino]-2-keto-1-methyl-ethyl]pyrazole-3-carboxylic acid Formula: C17H15Br2N5O3 MolecularWeight: 497.1407

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NN(C=C1Br)CC2=CC=C(C=C2)Br)N3C=CC(=N3)C(=O)O

Isomeric SMILES

CC(C(=O)NC1=NN(C=C1Br)CC2=CC=C(C=C2)Br)N3C=CC(=N3)C(=O)O

InChI

InChI=1S/C17H15Br2N5O3/c1-10(24-7-6-14(21-24)17(26)27)16(25)20-15-13(19)9-23(22-15)8-11-2-4-12(18)5-3-11/h2-7,9-10H,8H2,1H3,(H,26,27)(H,20,22,25)