5-(3-nitrophenyl)-2-octyl-pyrazole-3,4-dione

Systemtic Name: 5-(3-nitrophenyl)-2-octyl-pyrazole-3,4-dione Openeye Name: 5-(3-nitrophenyl)-2-octyl-pyrazole-3,4-dione CAS Name: 5-(3-nitrophenyl)-2-octylpyrazole-3,4-dione IUPAC Name: 5-(3-nitrophenyl)-2-octylpyrazole-3,4-dione Traditional Name: 5-(3-nitrophenyl)-2-octyl-2-pyrazoline-3,4-quinone Formula: C17H21N3O4 MolecularWeight: 331.36634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C(=O)C(=N1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCN1C(=O)C(=O)C(=N1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4/c1-2-3-4-5-6-7-11-19-17(22)16(21)15(18-19)13-9-8-10-14(12-13)20(23)24/h8-10,12H,2-7,11H2,1H3