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

Systemtic Name: 3-[3-[3-(tert-butylamino)-2-oxidanyl-propoxy]-4-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[3-[3-(tert-butylamino)-2-hydroxy-propoxy]-4-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[3-[3-(tert-butylamino)-2-hydroxy-propoxy]-4-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Formula: C18H26N4O5 MolecularWeight: 378.42284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O5/c1-11-7-16(24)20-21-17(11)12-5-6-14(22(25)26)15(8-12)27-10-13(23)9-19-18(2,3)4/h5-6,8,11,13,19,23H,7,9-10H2,1-4H3,(H,20,24)