3-(2,4-dimethylphenyl)-6-iodanyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one

Systemtic Name: 3-(2,4-dimethylphenyl)-6-iodanyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one Openeye Name: 3-(2,4-dimethylphenyl)-6-iodo-2-[(E)-2-(5-nitro-2-furyl)vinyl]quinazolin-4-one CAS Name: 3-(2,4-dimethylphenyl)-6-iodo-2-[(E)-2-(5-nitro-2-furanyl)ethenyl]-4-quinazolinone IUPAC Name: 3-(2,4-dimethylphenyl)-6-iodo-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one Traditional Name: 3-(2,4-dimethylphenyl)-6-iodo-2-[(E)-2-(5-nitro-2-furyl)vinyl]quinazolin-4-one Formula: C22H16IN3O4 MolecularWeight: 513.28461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)C=CC4=CC=C(O4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)/C=C/C4=CC=C(O4)[N+](=O)[O-])C

InChI

InChI=1S/C22H16IN3O4/c1-13-3-8-19(14(2)11-13)25-20(9-5-16-6-10-21(30-16)26(28)29)24-18-7-4-15(23)12-17(18)22(25)27/h3-12H,1-2H3/b9-5+