4-[2-[2-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-4-oxidanylidene-1H-quinazolin-3-yl]benzoate

Systemtic Name: 4-[2-[2-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-4-oxidanylidene-1H-quinazolin-3-yl]benzoate Openeye Name: 4-[2-[2-(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethylidene]-4-oxo-1H-quinazolin-3-yl]benzoate CAS Name: 4-[2-[2-(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)ethylidene]-4-oxo-1H-quinazolin-3-yl]benzoate IUPAC Name: 4-[2-[2-(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-4-oxo-1H-quinazolin-3-yl]benzoate Traditional Name: 4-[2-[2-(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)ethylidene]-4-keto-1H-quinazolin-3-yl]benzoate Formula: C24H16BrN2O5- MolecularWeight: 492.29824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C2NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)[O-])C=C(C1=O)Br

Isomeric SMILES

COC1=CC(=CC=C2NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)[O-])C=C(C1=O)Br

InChI

InChI=1S/C24H17BrN2O5/c1-32-20-13-14(12-18(25)22(20)28)6-11-21-26-19-5-3-2-4-17(19)23(29)27(21)16-9-7-15(8-10-16)24(30)31/h2-13,26H,1H3,(H,30,31)/p-1