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

Systemtic Name: 3-[3-nitro-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[4-[2-hydroxy-3-(isopropylamino)propoxy]-3-nitro-phenyl]-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-nitrophenyl]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-nitrophenyl]-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[4-[2-hydroxy-3-(isopropylamino)propoxy]-3-nitro-phenyl]-4,5-dihydro-1H-pyridazin-6-one Formula: C16H22N4O5 MolecularWeight: 350.36968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O5/c1-10(2)17-8-12(21)9-25-15-5-3-11(7-14(15)20(23)24)13-4-6-16(22)19-18-13/h3,5,7,10,12,17,21H,4,6,8-9H2,1-2H3,(H,19,22)