3,7-bis(bromanyl)-5-(morpholin-4-ylmethyl)-2-oxidanyl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 3,7-bis(bromanyl)-5-(morpholin-4-ylmethyl)-2-oxidanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 3,7-dibromo-2-hydroxy-5-(morpholinomethyl)cyclohepta-2,4,6-trien-1-one CAS Name: 3,7-dibromo-2-hydroxy-5-(4-morpholinylmethyl)-1-cyclohepta-2,4,6-trienone IUPAC Name: 3,7-dibromo-2-hydroxy-5-(morpholin-4-ylmethyl)cyclohepta-2,4,6-trien-1-one Traditional Name: 3,7-dibromo-2-hydroxy-5-(morpholinomethyl)cyclohepta-2,4,6-trien-1-one Formula: C12H13Br2NO3 MolecularWeight: 379.04452

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC(=C(C(=O)C(=C2)Br)O)Br

Isomeric SMILES

C1COCCN1CC2=CC(=C(C(=O)C(=C2)Br)O)Br

InChI

InChI=1S/C12H13Br2NO3/c13-9-5-8(6-10(14)12(17)11(9)16)7-15-1-3-18-4-2-15/h5-6H,1-4,7H2,(H,16,17)