3-[3-[3-(tert-butylamino)-2-oxidanyl-propoxy]-4-nitro-phenyl]-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 3-[3-[3-(tert-butylamino)-2-oxidanyl-propoxy]-4-nitro-phenyl]-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[3-[3-(tert-butylamino)-2-hydroxy-propoxy]-4-nitro-phenyl]-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-nitrophenyl]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-nitrophenyl]-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[3-[3-(tert-butylamino)-2-hydroxy-propoxy]-4-nitro-phenyl]-4,5-dihydro-1H-pyridazin-6-one Formula: C17H24N4O5 MolecularWeight: 364.39626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=C(C=CC(=C1)C2=NNC(=O)CC2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)NCC(COC1=C(C=CC(=C1)C2=NNC(=O)CC2)[N+](=O)[O-])O

InChI

InChI=1S/C17H24N4O5/c1-17(2,3)18-9-12(22)10-26-15-8-11(4-6-14(15)21(24)25)13-5-7-16(23)20-19-13/h4,6,8,12,18,22H,5,7,9-10H2,1-3H3,(H,20,23)