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

Systemtic Name: ethyl 4-[6-iodanyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoate Openeye Name: ethyl 4-[6-iodo-2-[(E)-2-(3-nitrophenyl)vinyl]-4-oxo-quinazolin-3-yl]benzoate CAS Name: 4-[6-iodo-2-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[6-iodo-2-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoate Traditional Name: 4-[6-iodo-4-keto-2-[(E)-2-(3-nitrophenyl)vinyl]quinazolin-3-yl]benzoic acid ethyl ester Formula: C25H18IN3O5 MolecularWeight: 567.33199

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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(=CC=C4)[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(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H18IN3O5/c1-2-34-25(31)17-7-10-19(11-8-17)28-23(13-6-16-4-3-5-20(14-16)29(32)33)27-22-12-9-18(26)15-21(22)24(28)30/h3-15H,2H2,1H3/b13-6+