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

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 3-(4-oxoquinazolin-3-yl)propanoate CAS Name: 3-(4-oxo-3-quinazolinyl)propanoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-ketoquinazolin-3-yl)propionic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C19H16IN3O4 MolecularWeight: 477.25251

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CCC(=O)OCC(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CCC(=O)OCC(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C19H16IN3O4/c20-13-4-3-5-14(10-13)22-17(24)11-27-18(25)8-9-23-12-21-16-7-2-1-6-15(16)19(23)26/h1-7,10,12H,8-9,11H2,(H,22,24)