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

Systemtic Name: [4-[(E)-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)iminomethyl]-2-iodanyl-6-methoxy-phenyl] benzoate Openeye Name: [4-[(E)-(2-ethyl-4-oxo-quinazolin-3-yl)iminomethyl]-2-iodo-6-methoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(E)-(2-ethyl-4-oxo-3-quinazolinyl)iminomethyl]-2-iodo-6-methoxyphenyl] ester IUPAC Name: [4-[(E)-(2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-2-iodo-6-methoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(E)-(2-ethyl-4-keto-quinazolin-3-yl)iminomethyl]-2-iodo-6-methoxy-phenyl] ester Formula: C25H20IN3O4 MolecularWeight: 553.34847

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC(=C(C(=C3)I)OC(=O)C4=CC=CC=C4)OC

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=O)N1/N=C/C3=CC(=C(C(=C3)I)OC(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H20IN3O4/c1-3-22-28-20-12-8-7-11-18(20)24(30)29(22)27-15-16-13-19(26)23(21(14-16)32-2)33-25(31)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3/b27-15+