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

Systemtic Name: 3-[[2-methoxy-5-[(5-methyl-7-nitro-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]methyl]-1H-pyridazin-6-one Openeye Name: 3-[[2-methoxy-5-(5-methyl-7-nitro-indan-4-yl)oxy-phenyl]methyl]-1H-pyridazin-6-one CAS Name: 3-[[2-methoxy-5-[(5-methyl-7-nitro-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]methyl]-1H-pyridazin-6-one IUPAC Name: 3-[[2-methoxy-5-[(5-methyl-7-nitro-2,3-dihydro-1H-inden-4-yl)oxy]phenyl]methyl]-1H-pyridazin-6-one Traditional Name: 3-[2-methoxy-5-(5-methyl-7-nitro-indan-4-yl)oxy-benzyl]-1H-pyridazin-6-one Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5/c1-13-10-19(25(27)28)17-4-3-5-18(17)22(13)30-16-7-8-20(29-2)14(12-16)11-15-6-9-21(26)24-23-15/h6-10,12H,3-5,11H2,1-2H3,(H,24,26)