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

Systemtic Name: 4-(hydroxymethyl)-5-(3-nitro-4-piperazin-1-yl-phenyl)-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 4-(hydroxymethyl)-5-(3-nitro-4-piperazin-1-yl-phenyl)-4,5-dihydro-1H-pyridazin-6-one CAS Name: 4-(hydroxymethyl)-5-[3-nitro-4-(1-piperazinyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 4-(hydroxymethyl)-5-(3-nitro-4-piperazin-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 4-methylol-5-(3-nitro-4-piperazino-phenyl)-4,5-dihydro-1H-pyridazin-6-one Formula: C15H19N5O4 MolecularWeight: 333.34246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C(C=C2)C3C(C=NNC3=O)CO)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C(C=C2)C3C(C=NNC3=O)CO)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O4/c21-9-11-8-17-18-15(22)14(11)10-1-2-12(13(7-10)20(23)24)19-5-3-16-4-6-19/h1-2,7-8,11,14,16,21H,3-6,9H2,(H,18,22)