4-bromanyl-2-methyl-4-(4-nitrophenyl)carbonyl-pyrazol-3-one

Systemtic Name: 4-bromanyl-2-methyl-4-(4-nitrophenyl)carbonyl-pyrazol-3-one Openeye Name: 4-bromo-2-methyl-4-(4-nitrobenzoyl)pyrazol-3-one CAS Name: 4-bromo-2-methyl-4-[(4-nitrophenyl)-oxomethyl]-3-pyrazolone IUPAC Name: 4-bromo-2-methyl-4-(4-nitrobenzoyl)pyrazol-3-one Traditional Name: 4-bromo-2-methyl-4-(4-nitrobenzoyl)-2-pyrazolin-3-one Formula: C11H8BrN3O4 MolecularWeight: 326.10292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C=N1)(C(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CN1C(=O)C(C=N1)(C(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C11H8BrN3O4/c1-14-10(17)11(12,6-13-14)9(16)7-2-4-8(5-3-7)15(18)19/h2-6H,1H3