[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 3-(3-methyl-4-oxo-quinazolin-2-yl)propanoate CAS Name: 3-(3-methyl-4-oxo-2-quinazolinyl)propanoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-3-methyl-quinazolin-2-yl)propionic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C20H18IN3O4 MolecularWeight: 491.27909

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)OCC(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)OCC(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C20H18IN3O4/c1-24-17(23-16-8-3-2-7-15(16)20(24)27)9-10-19(26)28-12-18(25)22-14-6-4-5-13(21)11-14/h2-8,11H,9-10,12H2,1H3,(H,22,25)