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

Systemtic Name: 4-(4-bromanylbutyl)-7-methoxy-1,4-benzoxazepine-3,5-dione Openeye Name: 4-(4-bromobutyl)-7-methoxy-1,4-benzoxazepine-3,5-dione CAS Name: 4-(4-bromobutyl)-7-methoxy-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-(4-bromobutyl)-7-methoxy-1,4-benzoxazepine-3,5-dione Traditional Name: 4-(4-bromobutyl)-7-methoxy-1,4-benzoxazepine-3,5-quinone Formula: C14H16BrNO4 MolecularWeight: 342.18514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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