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

Systemtic Name: (2S)-4-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-methyl-1,2,3,10-tetrahydroacridine-9-carboxylate Openeye Name: (2S)-4-[(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-methyl-1,2,3,10-tetrahydroacridine-9-carboxylate CAS Name: (2S)-4-[(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-methyl-1,2,3,10-tetrahydroacridine-9-carboxylate IUPAC Name: (2S)-4-[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-methyl-1,2,3,10-tetrahydroacridine-9-carboxylate Traditional Name: (2S)-4-[(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-2-methyl-1,2,3,10-tetrahydroacridine-9-carboxylate Formula: C23H19BrNO4- MolecularWeight: 453.30526

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=C2C(=C(C3=CC=CC=C3N2)C(=O)[O-])C1)C=C4C=C(C(=O)C(=C4)Br)OC

Isomeric SMILES

C[C@H]1CC(=C2C(=C(C3=CC=CC=C3N2)C(=O)[O-])C1)C=C4C=C(C(=O)C(=C4)Br)OC

InChI

InChI=1S/C23H20BrNO4/c1-12-7-14(9-13-10-17(24)22(26)19(11-13)29-2)21-16(8-12)20(23(27)28)15-5-3-4-6-18(15)25-21/h3-6,9-12,25H,7-8H2,1-2H3,(H,27,28)/p-1/t12-/m0/s1