1-(4-chloranylbutanoyl)-3,4,5-trimethoxy-1a,6a-dihydroindeno[1,2-b]azirin-6-one

Systemtic Name: 1-(4-chloranylbutanoyl)-3,4,5-trimethoxy-1a,6a-dihydroindeno[1,2-b]azirin-6-one Openeye Name: 1-(4-chlorobutanoyl)-3,4,5-trimethoxy-1a,6a-dihydroindeno[1,2-b]azirin-6-one CAS Name: 1-(4-chloro-1-oxobutyl)-3,4,5-trimethoxy-1a,6a-dihydroindeno[1,2-b]azirin-6-one IUPAC Name: 1-(4-chlorobutanoyl)-3,4,5-trimethoxy-1a,6a-dihydroindeno[1,2-b]azirin-6-one Traditional Name: 1-(4-chlorobutanoyl)-3,4,5-trimethoxy-1a,6a-dihydroinden[1,2-b]azirin-6-one Formula: C16H18ClNO5 MolecularWeight: 339.77082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C3C(C2=O)N3C(=O)CCCCl)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)C3C(C2=O)N3C(=O)CCCCl)OC)OC

InChI

InChI=1S/C16H18ClNO5/c1-21-9-7-8-11(16(23-3)15(9)22-2)14(20)13-12(8)18(13)10(19)5-4-6-17/h7,12-13H,4-6H2,1-3H3