4-bromanyl-2,5-dimethyl-4-(4-nitrophenyl)carbonyl-pyrazol-3-one

Systemtic Name: 4-bromanyl-2,5-dimethyl-4-(4-nitrophenyl)carbonyl-pyrazol-3-one Openeye Name: 4-bromo-2,5-dimethyl-4-(4-nitrobenzoyl)pyrazol-3-one CAS Name: 4-bromo-2,5-dimethyl-4-[(4-nitrophenyl)-oxomethyl]-3-pyrazolone IUPAC Name: 4-bromo-2,5-dimethyl-4-(4-nitrobenzoyl)pyrazol-3-one Traditional Name: 4-bromo-2,5-dimethyl-4-(4-nitrobenzoyl)-2-pyrazolin-3-one Formula: C12H10BrN3O4 MolecularWeight: 340.1295

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1(C(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br)C

Isomeric SMILES

CC1=NN(C(=O)C1(C(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br)C

InChI

InChI=1S/C12H10BrN3O4/c1-7-12(13,11(18)15(2)14-7)10(17)8-3-5-9(6-4-8)16(19)20/h3-6H,1-2H3