3-(3-azanylpropylamino)-4-(hydroxymethyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 3-(3-azanylpropylamino)-4-(hydroxymethyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-(3-aminopropylamino)-4-(hydroxymethyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-(3-aminopropylamino)-4-(hydroxymethyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-(3-aminopropylamino)-4-(hydroxymethyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-(3-aminopropylamino)-4-methylol-5-(3-nitrophenyl)-4,5-dihydro-1H-pyridazin-6-one Formula: C14H19N5O4 MolecularWeight: 321.33176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2C(C(=NNC2=O)NCCCN)CO

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2C(C(=NNC2=O)NCCCN)CO

InChI

InChI=1S/C14H19N5O4/c15-5-2-6-16-13-11(8-20)12(14(21)18-17-13)9-3-1-4-10(7-9)19(22)23/h1,3-4,7,11-12,20H,2,5-6,8,15H2,(H,16,17)(H,18,21)