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

Systemtic Name: 5-[[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-(4-bromo-1-methyl-pyrazol-3-yl)anilino]-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-[3-(4-bromo-1-methyl-3-pyrazolyl)anilino]-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-[3-(4-bromo-1-methylpyrazol-3-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-[3-(4-bromo-1-methyl-pyrazol-3-yl)anilino]-5-keto-3,3-dimethyl-valeric acid Formula: C17H20BrN3O3 MolecularWeight: 394.263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1=CC=CC(=C1)C2=NN(C=C2Br)C)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)NC1=CC=CC(=C1)C2=NN(C=C2Br)C)CC(=O)O

InChI

InChI=1S/C17H20BrN3O3/c1-17(2,9-15(23)24)8-14(22)19-12-6-4-5-11(7-12)16-13(18)10-21(3)20-16/h4-7,10H,8-9H2,1-3H3,(H,19,22)(H,23,24)