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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H16ClN3O3/c1-2-14-7-9-15(10-8-14)21-17-5-3-4-6-18(17)22(27)25(24-21)20-13-16(23)11-12-19(20)26(28)29/h3-13H,2H2,1H3