2-(5-chloranyl-2-nitro-phenyl)-6-iodanyl-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: 2-(5-chloranyl-2-nitro-phenyl)-6-iodanyl-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one Openeye Name: 2-(5-chloro-2-nitro-phenyl)-6-iodo-3-(m-tolyl)-1,2-dihydroquinazolin-4-one CAS Name: 2-(5-chloro-2-nitrophenyl)-6-iodo-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: 2-(5-chloro-2-nitrophenyl)-6-iodo-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one Traditional Name: 2-(5-chloro-2-nitro-phenyl)-6-iodo-3-(m-tolyl)-1,2-dihydroquinazolin-4-one Formula: C21H15ClIN3O3 MolecularWeight: 519.71957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(NC3=C(C2=O)C=C(C=C3)I)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2C(NC3=C(C2=O)C=C(C=C3)I)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H15ClIN3O3/c1-12-3-2-4-15(9-12)25-20(17-10-13(22)5-8-19(17)26(28)29)24-18-7-6-14(23)11-16(18)21(25)27/h2-11,20,24H,1H3