3-[4-(3-azanylpropylamino)-3-nitro-phenyl]-4-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=NNC1=O)C2=CC(=C(C=C2)NCCCN)[N+](=O)[O-])CO

Isomeric SMILES

C1C(C(=NNC1=O)C2=CC(=C(C=C2)NCCCN)[N+](=O)[O-])CO

InChI

InChI=1S/C14H19N5O4/c15-4-1-5-16-11-3-2-9(6-12(11)19(22)23)14-10(8-20)7-13(21)17-18-14/h2-3,6,10,16,20H,1,4-5,7-8,15H2,(H,17,21)