4-(4-methylphenyl)-2-(4-nitrophenyl)phthalazin-1-one

Systemtic Name: 4-(4-methylphenyl)-2-(4-nitrophenyl)phthalazin-1-one Openeye Name: 2-(4-nitrophenyl)-4-(p-tolyl)phthalazin-1-one CAS Name: 4-(4-methylphenyl)-2-(4-nitrophenyl)-1-phthalazinone IUPAC Name: 4-(4-methylphenyl)-2-(4-nitrophenyl)phthalazin-1-one Traditional Name: 2-(4-nitrophenyl)-4-(p-tolyl)phthalazin-1-one Formula: C21H15N3O3 MolecularWeight: 357.3621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O3/c1-14-6-8-15(9-7-14)20-18-4-2-3-5-19(18)21(25)23(22-20)16-10-12-17(13-11-16)24(26)27/h2-13H,1H3