2-(5-chloranyl-2-nitro-phenyl)-4-(4-methylphenyl)phthalazin-1-one

Systemtic Name: 2-(5-chloranyl-2-nitro-phenyl)-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-(5-chloro-2-nitro-phenyl)-4-(p-tolyl)phthalazin-1-one CAS Name: 2-(5-chloro-2-nitrophenyl)-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-(5-chloro-2-nitrophenyl)-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-(5-chloro-2-nitro-phenyl)-4-(p-tolyl)phthalazin-1-one Formula: C21H14ClN3O3 MolecularWeight: 391.80716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClN3O3/c1-13-6-8-14(9-7-13)20-16-4-2-3-5-17(16)21(26)24(23-20)19-12-15(22)10-11-18(19)25(27)28/h2-12H,1H3