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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5/c1-14-11-20(25(27)28)18-7-4-8-19(18)21(14)30-17-6-3-5-15(13-17)12-16-9-10-23-24(29-2)22(16)26/h3,5-6,9-11,13H,4,7-8,12H2,1-2H3