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

Systemtic Name: 3-[4-(3-azanylpropylamino)-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[4-(3-aminopropylamino)-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[4-(3-aminopropylamino)-3-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[4-(3-aminopropylamino)-3-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[4-(3-aminopropylamino)-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Formula: C14H19N5O3 MolecularWeight: 305.33236

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC(=C(C=C2)NCCCN)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC(=C(C=C2)NCCCN)[N+](=O)[O-]

InChI

InChI=1S/C14H19N5O3/c1-9-7-13(20)17-18-14(9)10-3-4-11(16-6-2-5-15)12(8-10)19(21)22/h3-4,8-9,16H,2,5-7,15H2,1H3,(H,17,20)