2-(3-methyl-5-nitro-pyrazol-1-yl)-1-phenyl-ethanone

Systemtic Name: 2-(3-methyl-5-nitro-pyrazol-1-yl)-1-phenyl-ethanone Openeye Name: 2-(3-methyl-5-nitro-pyrazol-1-yl)-1-phenyl-ethanone CAS Name: 2-(3-methyl-5-nitro-1-pyrazolyl)-1-phenylethanone IUPAC Name: 2-(3-methyl-5-nitropyrazol-1-yl)-1-phenylethanone Traditional Name: 2-(3-methyl-5-nitro-pyrazol-1-yl)-1-phenyl-ethanone Formula: C12H11N3O3 MolecularWeight: 245.23404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O3/c1-9-7-12(15(17)18)14(13-9)8-11(16)10-5-3-2-4-6-10/h2-7H,8H2,1H3