6-[4-(2-bromanylphenoxy)-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[4-(2-bromanylphenoxy)-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-(2-bromophenoxy)-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[4-(2-bromophenoxy)-1H-quinazolin-2-ylidene]-2-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-(2-bromophenoxy)-1H-quinazolin-2-ylidene]-2-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[4-(2-bromophenoxy)-1H-quinazolin-2-ylidene]-2-methoxy-cyclohexa-2,4-dien-1-one Formula: C21H15BrN2O3 MolecularWeight: 423.2594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C2NC3=CC=CC=C3C(=N2)OC4=CC=CC=C4Br)C1=O

Isomeric SMILES

COC1=CC=CC(=C2NC3=CC=CC=C3C(=N2)OC4=CC=CC=C4Br)C1=O

InChI

InChI=1S/C21H15BrN2O3/c1-26-18-12-6-8-14(19(18)25)20-23-16-10-4-2-7-13(16)21(24-20)27-17-11-5-3-9-15(17)22/h2-12,23H,1H3