ethyl 4-[6-iodanyl-2-[(E)-2-naphthalen-1-ylethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoate

Systemtic Name: ethyl 4-[6-iodanyl-2-[(E)-2-naphthalen-1-ylethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoate Openeye Name: ethyl 4-[6-iodo-2-[(E)-2-(1-naphthyl)vinyl]-4-oxo-quinazolin-3-yl]benzoate CAS Name: 4-[6-iodo-2-[(E)-2-(1-naphthalenyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[6-iodo-2-[(E)-2-naphthalen-1-ylethenyl]-4-oxoquinazolin-3-yl]benzoate Traditional Name: 4-[6-iodo-4-keto-2-[(E)-2-(1-naphthyl)vinyl]quinazolin-3-yl]benzoic acid ethyl ester Formula: C29H21IN2O3 MolecularWeight: 572.39311

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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=CC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)/C=C/C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H21IN2O3/c1-2-35-29(34)21-10-14-23(15-11-21)32-27(31-26-16-13-22(30)18-25(26)28(32)33)17-12-20-8-5-7-19-6-3-4-9-24(19)20/h3-18H,2H2,1H3/b17-12+