5-methyl-4-nitro-1-(nitromethyl)-2-phenyl-pyrazol-3-one

Systemtic Name: 5-methyl-4-nitro-1-(nitromethyl)-2-phenyl-pyrazol-3-one Openeye Name: 5-methyl-4-nitro-1-(nitromethyl)-2-phenyl-pyrazol-3-one CAS Name: 5-methyl-4-nitro-1-(nitromethyl)-2-phenyl-3-pyrazolone IUPAC Name: 5-methyl-4-nitro-1-(nitromethyl)-2-phenylpyrazol-3-one Traditional Name: 5-methyl-4-nitro-1-(nitromethyl)-2-phenyl-3-pyrazolin-3-one Formula: C11H10N4O5 MolecularWeight: 278.2209

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C[N+](=O)[O-])C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C[N+](=O)[O-])C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H10N4O5/c1-8-10(15(19)20)11(16)14(12(8)7-13(17)18)9-5-3-2-4-6-9/h2-6H,7H2,1H3