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

Systemtic Name: 4-[6-iodanyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 4-[6-iodo-2-[(E)-2-(4-nitrophenyl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 4-[6-iodo-2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 4-[6-iodo-2-[(E)-2-(4-nitrophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 4-[6-iodo-4-keto-2-[(E)-2-(4-nitrophenyl)vinyl]quinazolin-3-yl]benzoic acid Formula: C23H14IN3O5 MolecularWeight: 539.27883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=NC3=C(C=C(C=C3)I)C(=O)N2C4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C/C2=NC3=C(C=C(C=C3)I)C(=O)N2C4=CC=C(C=C4)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C23H14IN3O5/c24-16-6-11-20-19(13-16)22(28)26(17-9-4-15(5-10-17)23(29)30)21(25-20)12-3-14-1-7-18(8-2-14)27(31)32/h1-13H,(H,29,30)/b12-3+