3-(3-nitro-4-piperazin-1-yl-phenyl)-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 3-(3-nitro-4-piperazin-1-yl-phenyl)-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-(3-nitro-4-piperazin-1-yl-phenyl)-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[3-nitro-4-(1-piperazinyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-(3-nitro-4-piperazin-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-(3-nitro-4-piperazino-phenyl)-4,5-dihydro-1H-pyridazin-6-one Formula: C14H17N5O3 MolecularWeight: 303.31648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCNCC3)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCNCC3)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O3/c20-14-4-2-11(16-17-14)10-1-3-12(13(9-10)19(21)22)18-7-5-15-6-8-18/h1,3,9,15H,2,4-8H2,(H,17,20)