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

Systemtic Name: 4-[[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]amino]-4-keto-butyric acid Formula: C16H18BrN3O3 MolecularWeight: 380.23642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN3O3/c1-10-16(18-14(21)7-8-15(22)23)11(2)20(19-10)9-12-3-5-13(17)6-4-12/h3-6H,7-9H2,1-2H3,(H,18,21)(H,22,23)