5-[4-(2-azanylethylamino)-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 5-[4-(2-azanylethylamino)-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 5-[4-(2-aminoethylamino)-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one CAS Name: 5-[4-(2-aminoethylamino)-3-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 5-[4-(2-aminoethylamino)-3-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 5-[4-(2-aminoethylamino)-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Formula: C13H17N5O3 MolecularWeight: 291.30578

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=NNC(=O)C1C2=CC(=C(C=C2)NCCN)[N+](=O)[O-]

Isomeric SMILES

CC1C=NNC(=O)C1C2=CC(=C(C=C2)NCCN)[N+](=O)[O-]

InChI

InChI=1S/C13H17N5O3/c1-8-7-16-17-13(19)12(8)9-2-3-10(15-5-4-14)11(6-9)18(20)21/h2-3,6-8,12,15H,4-5,14H2,1H3,(H,17,19)