3-[[5-[(5-methyl-7-nitro-2,3-dihydro-1H-inden-4-yl)oxy]-2-oxidanyl-phenyl]methyl]-1H-pyridazin-6-one

Systemtic Name: 3-[[5-[(5-methyl-7-nitro-2,3-dihydro-1H-inden-4-yl)oxy]-2-oxidanyl-phenyl]methyl]-1H-pyridazin-6-one Openeye Name: 3-[[2-hydroxy-5-(5-methyl-7-nitro-indan-4-yl)oxy-phenyl]methyl]-1H-pyridazin-6-one CAS Name: 3-[[2-hydroxy-5-[(5-methyl-7-nitro-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]methyl]-1H-pyridazin-6-one IUPAC Name: 3-[[2-hydroxy-5-[(5-methyl-7-nitro-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]methyl]-1H-pyridazin-6-one Traditional Name: 3-[2-hydroxy-5-(5-methyl-7-nitro-indan-4-yl)oxy-benzyl]-1H-pyridazin-6-one Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2CCCC2=C1OC3=CC(=C(C=C3)O)CC4=NNC(=O)C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C2CCCC2=C1OC3=CC(=C(C=C3)O)CC4=NNC(=O)C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5/c1-12-9-18(24(27)28)16-3-2-4-17(16)21(12)29-15-6-7-19(25)13(11-15)10-14-5-8-20(26)23-22-14/h5-9,11,25H,2-4,10H2,1H3,(H,23,26)