2-[[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]amino]-2-oxo-acetic acid CAS Name: 2-[[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]amino]-2-oxoacetic acid IUPAC Name: 2-[[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-2-oxoacetic acid Traditional Name: 2-[[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]amino]-2-keto-acetic acid Formula: C14H14BrN3O3 MolecularWeight: 352.18326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=O)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=O)C(=O)O

InChI

InChI=1S/C14H14BrN3O3/c1-8-12(16-13(19)14(20)21)9(2)18(17-8)7-10-3-5-11(15)6-4-10/h3-6H,7H2,1-2H3,(H,16,19)(H,20,21)