2-ethoxycarbonyl-4-[(6-iodanyl-4-oxidanylidene-2-phenyl-quinazolin-3-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-ethoxycarbonyl-4-[(6-iodanyl-4-oxidanylidene-2-phenyl-quinazolin-3-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-ethoxycarbonyl-4-[(6-iodo-4-oxo-2-phenyl-quinazolin-3-yl)amino]-4-oxo-butanoic acid CAS Name: 2-ethoxycarbonyl-4-[(6-iodo-4-oxo-2-phenyl-3-quinazolinyl)amino]-4-oxobutanoic acid IUPAC Name: 2-ethoxycarbonyl-4-[(6-iodo-4-oxo-2-phenylquinazolin-3-yl)amino]-4-oxobutanoic acid Traditional Name: 2-carbethoxy-4-[(6-iodo-4-keto-2-phenyl-quinazolin-3-yl)amino]-4-keto-butyric acid Formula: C21H18IN3O6 MolecularWeight: 535.28859

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)NN1C(=NC2=C(C1=O)C=C(C=C2)I)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCOC(=O)C(CC(=O)NN1C(=NC2=C(C1=O)C=C(C=C2)I)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H18IN3O6/c1-2-31-21(30)15(20(28)29)11-17(26)24-25-18(12-6-4-3-5-7-12)23-16-9-8-13(22)10-14(16)19(25)27/h3-10,15H,2,11H2,1H3,(H,24,26)(H,28,29)