methyl (11E)-2-bromanyl-9-oxidanylidene-6,7,8,10-tetrahydro-5H-benzo[b][1]benzazocine-11-carboxylate

Systemtic Name: methyl (11E)-2-bromanyl-9-oxidanylidene-6,7,8,10-tetrahydro-5H-benzo[b][1]benzazocine-11-carboxylate Openeye Name: methyl (11E)-2-bromo-9-oxo-6,7,8,10-tetrahydro-5H-benzo[b][1]benzazocine-11-carboxylate CAS Name: (11E)-2-bromo-9-oxo-6,7,8,10-tetrahydro-5H-benzo[b][1]benzazocine-11-carboxylic acid methyl ester IUPAC Name: methyl (11E)-2-bromo-9-oxo-6,7,8,10-tetrahydro-5H-benzo[b][1]benzazocine-11-carboxylate Traditional Name: (11E)-2-bromo-9-keto-6,7,8,10-tetrahydro-5H-benzo[b][1]benzazocine-11-carboxylic acid methyl ester Formula: C17H16BrNO3 MolecularWeight: 362.21784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC(=C2)Br)NC3=C(C1)C(=O)CCC3

Isomeric SMILES

COC(=O)/C/1=C/C2=C(C=CC(=C2)Br)NC3=C(C1)C(=O)CCC3

InChI

InChI=1S/C17H16BrNO3/c1-22-17(21)11-7-10-8-12(18)5-6-14(10)19-15-3-2-4-16(20)13(15)9-11/h5-8,19H,2-4,9H2,1H3/b11-7+