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

Systemtic Name: 6-iodanyl-3-(4-methylphenyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one Openeye Name: 6-iodo-2-[(E)-2-(5-nitro-2-furyl)vinyl]-3-(p-tolyl)quinazolin-4-one CAS Name: 6-iodo-3-(4-methylphenyl)-2-[(E)-2-(5-nitro-2-furanyl)ethenyl]-4-quinazolinone IUPAC Name: 6-iodo-3-(4-methylphenyl)-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one Traditional Name: 6-iodo-2-[(E)-2-(5-nitro-2-furyl)vinyl]-3-(p-tolyl)quinazolin-4-one Formula: C21H14IN3O4 MolecularWeight: 499.25803

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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-]

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-]

InChI

InChI=1S/C21H14IN3O4/c1-13-2-5-15(6-3-13)24-19(10-7-16-8-11-20(29-16)25(27)28)23-18-9-4-14(22)12-17(18)21(24)26/h2-12H,1H3/b10-7+