[2-iodanyl-6-methoxy-4-[(E)-(4-oxidanylidenequinazolin-3-yl)iminomethyl]phenyl] benzoate

Systemtic Name: [2-iodanyl-6-methoxy-4-[(E)-(4-oxidanylidenequinazolin-3-yl)iminomethyl]phenyl] benzoate Openeye Name: [2-iodo-6-methoxy-4-[(E)-(4-oxoquinazolin-3-yl)iminomethyl]phenyl] benzoate CAS Name: benzoic acid [2-iodo-6-methoxy-4-[(E)-(4-oxo-3-quinazolinyl)iminomethyl]phenyl] ester IUPAC Name: [2-iodo-6-methoxy-4-[(E)-(4-oxoquinazolin-3-yl)iminomethyl]phenyl] benzoate Traditional Name: benzoic acid [2-iodo-4-[(E)-(4-ketoquinazolin-3-yl)iminomethyl]-6-methoxy-phenyl] ester Formula: C23H16IN3O4 MolecularWeight: 525.29531

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NN2C=NC3=CC=CC=C3C2=O)I)OC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/N2C=NC3=CC=CC=C3C2=O)I)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H16IN3O4/c1-30-20-12-15(11-18(24)21(20)31-23(29)16-7-3-2-4-8-16)13-26-27-14-25-19-10-6-5-9-17(19)22(27)28/h2-14H,1H3/b26-13+