7,8-bis(oxidanyl)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylic acid hydrobromide

Systemtic Name: 7,8-bis(oxidanyl)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylic acid hydrobromide Openeye Name: 7,8-dihydroxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylic acid hydrobromide CAS Name: 7,8-dihydroxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylic acid hydrobromide IUPAC Name: 7,8-dihydroxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylic acid hydrobromide Traditional Name: 7,8-dihydroxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylic acid hydrobromide Formula: C17H18BrNO4 MolecularWeight: 380.23312

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C2=CC(=C(C(=C21)C(=O)O)O)O)C3=CC=CC=C3.Br

Isomeric SMILES

C1CNCC(C2=CC(=C(C(=C21)C(=O)O)O)O)C3=CC=CC=C3.Br

InChI

InChI=1S/C17H17NO4.BrH/c19-14-8-12-11(15(16(14)20)17(21)22)6-7-18-9-13(12)10-4-2-1-3-5-10;/h1-5,8,13,18-20H,6-7,9H2,(H,21,22);1H