4-[(5-bromanyl-2-oxidanyl-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(5-bromanyl-2-oxidanyl-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(5-bromo-2-hydroxy-phenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-[(5-bromo-2-hydroxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(5-bromo-2-hydroxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(5-bromo-2-hydroxy-phenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-3-pyrazolin-3-one Formula: C15H15BrN4O3 MolecularWeight: 379.2086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=C(C=CC(=C2)Br)O)C3=C(NNC3=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=C(C=CC(=C2)Br)O)C3=C(NNC3=O)C

InChI

InChI=1S/C15H15BrN4O3/c1-6-11(14(22)19-17-6)13(12-7(2)18-20-15(12)23)9-5-8(16)3-4-10(9)21/h3-5,13,21H,1-2H3,(H2,17,19,22)(H2,18,20,23)