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

Systemtic Name: 4-[(3-bromanyl-5-nitro-2-oxidanyl-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(3-bromo-2-hydroxy-5-nitro-phenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-[(3-bromo-2-hydroxy-5-nitrophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(3-bromo-2-hydroxy-5-nitrophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(3-bromo-2-hydroxy-5-nitro-phenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-3-pyrazolin-3-one Formula: C15H14BrN5O5 MolecularWeight: 424.20616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC(=CC(=C2O)Br)[N+](=O)[O-])C3=C(NNC3=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC(=CC(=C2O)Br)[N+](=O)[O-])C3=C(NNC3=O)C

InChI

InChI=1S/C15H14BrN5O5/c1-5-10(14(23)19-17-5)12(11-6(2)18-20-15(11)24)8-3-7(21(25)26)4-9(16)13(8)22/h3-4,12,22H,1-2H3,(H2,17,19,23)(H2,18,20,24)