3-[4-(cyclohexylamino)-3-nitro-phenyl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-(cyclohexylamino)-3-nitro-phenyl]-1H-pyridazin-6-one Openeye Name: 3-[4-(cyclohexylamino)-3-nitro-phenyl]-1H-pyridazin-6-one CAS Name: 3-[4-(cyclohexylamino)-3-nitrophenyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(cyclohexylamino)-3-nitrophenyl]-1H-pyridazin-6-one Traditional Name: 3-[4-(cyclohexylamino)-3-nitro-phenyl]-1H-pyridazin-6-one Formula: C16H18N4O3 MolecularWeight: 314.33912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C=C(C=C2)C3=NNC(=O)C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC2=C(C=C(C=C2)C3=NNC(=O)C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O3/c21-16-9-8-13(18-19-16)11-6-7-14(15(10-11)20(22)23)17-12-4-2-1-3-5-12/h6-10,12,17H,1-5H2,(H,19,21)