2-[[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[4-bromo-1-(p-tolylmethyl)pyrazol-3-yl]amino]-2-oxo-acetic acid CAS Name: 2-[[4-bromo-1-[(4-methylphenyl)methyl]-3-pyrazolyl]amino]-2-oxoacetic acid IUPAC Name: 2-[[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxoacetic acid Traditional Name: 2-[[4-bromo-1-(4-methylbenzyl)pyrazol-3-yl]amino]-2-keto-acetic acid Formula: C13H12BrN3O3 MolecularWeight: 338.15668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)C(=O)O)Br

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)C(=O)O)Br

InChI

InChI=1S/C13H12BrN3O3/c1-8-2-4-9(5-3-8)6-17-7-10(14)11(16-17)15-12(18)13(19)20/h2-5,7H,6H2,1H3,(H,19,20)(H,15,16,18)