4-(4-methylphenyl)-2-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]phthalazin-1-one

Systemtic Name: 4-(4-methylphenyl)-2-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]phthalazin-1-one Openeye Name: 2-[2-hydroxy-3-(3-nitrophenoxy)propyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[2-hydroxy-3-(3-nitrophenoxy)propyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[2-hydroxy-3-(3-nitrophenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[2-hydroxy-3-(3-nitrophenoxy)propyl]-4-(p-tolyl)phthalazin-1-one Formula: C24H21N3O5 MolecularWeight: 431.44064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(COC4=CC=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(COC4=CC=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C24H21N3O5/c1-16-9-11-17(12-10-16)23-21-7-2-3-8-22(21)24(29)26(25-23)14-19(28)15-32-20-6-4-5-18(13-20)27(30)31/h2-13,19,28H,14-15H2,1H3