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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O5/c1-13-10-19(24(27)28)17-6-3-7-18(17)20(13)29-16-5-2-4-14(12-16)11-15-8-9-22-23(26)21(15)25/h2,4-5,8-10,12,26H,3,6-7,11H2,1H3