2-(3,4-dichlorophenyl)-4-(4-methyl-3-nitro-phenyl)phthalazin-1-one

Systemtic Name: 2-(3,4-dichlorophenyl)-4-(4-methyl-3-nitro-phenyl)phthalazin-1-one Openeye Name: 2-(3,4-dichlorophenyl)-4-(4-methyl-3-nitro-phenyl)phthalazin-1-one CAS Name: 2-(3,4-dichlorophenyl)-4-(4-methyl-3-nitrophenyl)-1-phthalazinone IUPAC Name: 2-(3,4-dichlorophenyl)-4-(4-methyl-3-nitrophenyl)phthalazin-1-one Traditional Name: 2-(3,4-dichlorophenyl)-4-(4-methyl-3-nitro-phenyl)phthalazin-1-one Formula: C21H13Cl2N3O3 MolecularWeight: 426.25222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13Cl2N3O3/c1-12-6-7-13(10-19(12)26(28)29)20-15-4-2-3-5-16(15)21(27)25(24-20)14-8-9-17(22)18(23)11-14/h2-11H,1H3