4-(5-bromanylpentyl)-7-methoxy-1,4-benzoxazepine-3,5-dione

Systemtic Name: 4-(5-bromanylpentyl)-7-methoxy-1,4-benzoxazepine-3,5-dione Openeye Name: 4-(5-bromopentyl)-7-methoxy-1,4-benzoxazepine-3,5-dione CAS Name: 4-(5-bromopentyl)-7-methoxy-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-(5-bromopentyl)-7-methoxy-1,4-benzoxazepine-3,5-dione Traditional Name: 4-(5-bromopentyl)-7-methoxy-1,4-benzoxazepine-3,5-quinone Formula: C15H18BrNO4 MolecularWeight: 356.21172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCC(=O)N(C2=O)CCCCCBr

Isomeric SMILES

COC1=CC2=C(C=C1)OCC(=O)N(C2=O)CCCCCBr

InChI

InChI=1S/C15H18BrNO4/c1-20-11-5-6-13-12(9-11)15(19)17(14(18)10-21-13)8-4-2-3-7-16/h5-6,9H,2-4,7-8,10H2,1H3