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

Systemtic Name: 4-[(3-bromanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-1,2,3,10-tetrahydroacridine-9-carboxylate Openeye Name: 4-[(3-bromo-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-1,2,3,10-tetrahydroacridine-9-carboxylate CAS Name: 4-[(3-bromo-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-1,2,3,10-tetrahydroacridine-9-carboxylate IUPAC Name: 4-[(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1,2,3,10-tetrahydroacridine-9-carboxylate Traditional Name: 4-[(3-bromo-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-1,2,3,10-tetrahydroacridine-9-carboxylate Formula: C21H15BrNO3- MolecularWeight: 409.2527

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C2C(=C(C3=CC=CC=C3N2)C(=O)[O-])C1)C=C4C=CC(=O)C(=C4)Br

Isomeric SMILES

C1CC(=C2C(=C(C3=CC=CC=C3N2)C(=O)[O-])C1)C=C4C=CC(=O)C(=C4)Br

InChI

InChI=1S/C21H16BrNO3/c22-16-11-12(8-9-18(16)24)10-13-4-3-6-15-19(21(25)26)14-5-1-2-7-17(14)23-20(13)15/h1-2,5,7-11,23H,3-4,6H2,(H,25,26)/p-1