ethyl 4-[6-iodanyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoate

Systemtic Name: ethyl 4-[6-iodanyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoate Openeye Name: ethyl 4-[6-iodo-2-[(E)-2-(5-nitro-2-furyl)vinyl]-4-oxo-quinazolin-3-yl]benzoate CAS Name: 4-[6-iodo-2-[(E)-2-(5-nitro-2-furanyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[6-iodo-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-4-oxoquinazolin-3-yl]benzoate Traditional Name: 4-[6-iodo-4-keto-2-[(E)-2-(5-nitro-2-furyl)vinyl]quinazolin-3-yl]benzoic acid ethyl ester Formula: C23H16IN3O6 MolecularWeight: 557.29411

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=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/C23H16IN3O6/c1-2-32-23(29)14-3-6-16(7-4-14)26-20(11-8-17-9-12-21(33-17)27(30)31)25-19-10-5-15(24)13-18(19)22(26)28/h3-13H,2H2,1H3/b11-8+