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

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

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

Isomeric SMILES

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

InChI

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