4-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-1,2,3,10-tetrahydroacridine-9-carboxylate

Systemtic Name: 4-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-1,2,3,10-tetrahydroacridine-9-carboxylate Openeye Name: 4-[(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-1,2,3,10-tetrahydroacridine-9-carboxylate CAS Name: 4-[(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-1,2,3,10-tetrahydroacridine-9-carboxylate IUPAC Name: 4-[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1,2,3,10-tetrahydroacridine-9-carboxylate Traditional Name: 4-[(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-1,2,3,10-tetrahydroacridine-9-carboxylate Formula: C22H17BrNO4- MolecularWeight: 439.27868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C3C(=C(C4=CC=CC=C4N3)C(=O)[O-])CCC2)C=C(C1=O)Br

Isomeric SMILES

COC1=CC(=CC2=C3C(=C(C4=CC=CC=C4N3)C(=O)[O-])CCC2)C=C(C1=O)Br

InChI

InChI=1S/C22H18BrNO4/c1-28-18-11-12(10-16(23)21(18)25)9-13-5-4-7-15-19(22(26)27)14-6-2-3-8-17(14)24-20(13)15/h2-3,6,8-11,24H,4-5,7H2,1H3,(H,26,27)/p-1