6-azanyl-7-bromanyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylic acid

Systemtic Name: 6-azanyl-7-bromanyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylic acid Openeye Name: 6-amino-7-bromo-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylic acid CAS Name: 6-amino-7-bromo-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylic acid IUPAC Name: 6-amino-7-bromo-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylic acid Traditional Name: 6-amino-7-bromo-2,3,4,5-tetrahydro-1,5-benzoxazepine-9-carboxylic acid Formula: C10H11BrN2O3 MolecularWeight: 287.10994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=C(C(=CC(=C2N)Br)C(=O)O)OC1

Isomeric SMILES

C1CNC2=C(C(=CC(=C2N)Br)C(=O)O)OC1

InChI

InChI=1S/C10H11BrN2O3/c11-6-4-5(10(14)15)9-8(7(6)12)13-2-1-3-16-9/h4,13H,1-3,12H2,(H,14,15)