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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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