4-(4-bromanylbutyl)-6-methoxy-1,4-benzoxazepine-3,5-dione

Systemtic Name: 4-(4-bromanylbutyl)-6-methoxy-1,4-benzoxazepine-3,5-dione Openeye Name: 4-(4-bromobutyl)-6-methoxy-1,4-benzoxazepine-3,5-dione CAS Name: 4-(4-bromobutyl)-6-methoxy-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-(4-bromobutyl)-6-methoxy-1,4-benzoxazepine-3,5-dione Traditional Name: 4-(4-bromobutyl)-6-methoxy-1,4-benzoxazepine-3,5-quinone Formula: C14H16BrNO4 MolecularWeight: 342.18514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=O)N(C(=O)CO2)CCCCBr

Isomeric SMILES

COC1=CC=CC2=C1C(=O)N(C(=O)CO2)CCCCBr

InChI

InChI=1S/C14H16BrNO4/c1-19-10-5-4-6-11-13(10)14(18)16(8-3-2-7-15)12(17)9-20-11/h4-6H,2-3,7-9H2,1H3