2-[4-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-2-iodanyl-6-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]iminomethyl]-2-iodanyl-6-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-iodo-6-methoxy-phenoxy]acetic acid CAS Name: 2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-iodo-6-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-2-iodo-6-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[(2,4-diketo-1H-quinazolin-3-yl)iminomethyl]-2-iodo-6-methoxy-phenoxy]acetic acid Formula: C18H14IN3O6 MolecularWeight: 495.22473

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NN2C(=O)C3=CC=CC=C3NC2=O)I)OCC(=O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C=NN2C(=O)C3=CC=CC=C3NC2=O)I)OCC(=O)O

InChI

InChI=1S/C18H14IN3O6/c1-27-14-7-10(6-12(19)16(14)28-9-15(23)24)8-20-22-17(25)11-4-2-3-5-13(11)21-18(22)26/h2-8H,9H2,1H3,(H,21,26)(H,23,24)