2-(4-bromophenyl)-5-methyl-4-(2-methyl-4-oxidanylidene-pentan-2-yl)-4H-pyrazol-3-one

Systemtic Name: 2-(4-bromophenyl)-5-methyl-4-(2-methyl-4-oxidanylidene-pentan-2-yl)-4H-pyrazol-3-one Openeye Name: 2-(4-bromophenyl)-4-(1,1-dimethyl-3-oxo-butyl)-5-methyl-4H-pyrazol-3-one CAS Name: 2-(4-bromophenyl)-5-methyl-4-(2-methyl-4-oxopentan-2-yl)-4H-pyrazol-3-one IUPAC Name: 2-(4-bromophenyl)-5-methyl-4-(2-methyl-4-oxopentan-2-yl)-4H-pyrazol-3-one Traditional Name: 2-(4-bromophenyl)-4-(3-keto-1,1-dimethyl-butyl)-5-methyl-2-pyrazolin-3-one Formula: C16H19BrN2O2 MolecularWeight: 351.23826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C(C)(C)CC(=O)C)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=NN(C(=O)C1C(C)(C)CC(=O)C)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H19BrN2O2/c1-10(20)9-16(3,4)14-11(2)18-19(15(14)21)13-7-5-12(17)6-8-13/h5-8,14H,9H2,1-4H3