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

Systemtic Name: ethyl 4-[6-iodanyl-4-oxidanylidene-2-[(E)-2-phenylethenyl]quinazolin-3-yl]benzoate Openeye Name: ethyl 4-[6-iodo-4-oxo-2-[(E)-styryl]quinazolin-3-yl]benzoate CAS Name: 4-[6-iodo-4-oxo-2-[(E)-2-phenylethenyl]-3-quinazolinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[6-iodo-4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]benzoate Traditional Name: 4-[6-iodo-4-keto-2-[(E)-styryl]quinazolin-3-yl]benzoic acid ethyl ester Formula: C25H19IN2O3 MolecularWeight: 522.33443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)C=CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H19IN2O3/c1-2-31-25(30)18-9-12-20(13-10-18)28-23(15-8-17-6-4-3-5-7-17)27-22-14-11-19(26)16-21(22)24(28)29/h3-16H,2H2,1H3/b15-8+