2-(5-chloranyl-2-nitro-phenyl)-4-(3,4-dimethylphenyl)phthalazin-1-one

Systemtic Name: 2-(5-chloranyl-2-nitro-phenyl)-4-(3,4-dimethylphenyl)phthalazin-1-one Openeye Name: 2-(5-chloro-2-nitro-phenyl)-4-(3,4-dimethylphenyl)phthalazin-1-one CAS Name: 2-(5-chloro-2-nitrophenyl)-4-(3,4-dimethylphenyl)-1-phthalazinone IUPAC Name: 2-(5-chloro-2-nitrophenyl)-4-(3,4-dimethylphenyl)phthalazin-1-one Traditional Name: 2-(5-chloro-2-nitro-phenyl)-4-(3,4-dimethylphenyl)phthalazin-1-one Formula: C22H16ClN3O3 MolecularWeight: 405.83374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN3O3/c1-13-7-8-15(11-14(13)2)21-17-5-3-4-6-18(17)22(27)25(24-21)20-12-16(23)9-10-19(20)26(28)29/h3-12H,1-2H3