(2Z)-N-acetyloxy-7-chloranyl-5-(3-methylbutanoyl)-6-oxidanyl-2,3-dihydro-1-benzofuran-2-carboximidate

Systemtic Name: (2Z)-N-acetyloxy-7-chloranyl-5-(3-methylbutanoyl)-6-oxidanyl-2,3-dihydro-1-benzofuran-2-carboximidate Openeye Name: (2Z)-N-acetoxy-7-chloro-6-hydroxy-5-(3-methylbutanoyl)-2,3-dihydrobenzofuran-2-carboximidate CAS Name: (2Z)-N-acetyloxy-7-chloro-6-hydroxy-5-(3-methyl-1-oxobutyl)-2,3-dihydrobenzofuran-2-carboximidate IUPAC Name: (2Z)-N-acetyloxy-7-chloro-6-hydroxy-5-(3-methylbutanoyl)-2,3-dihydro-1-benzofuran-2-carboximidate Traditional Name: (2Z)-N-acetoxy-7-chloro-6-hydroxy-5-isovaleryl-coumaran-2-carboximidate Formula: C16H17ClNO6- MolecularWeight: 354.76228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=CC2=C(C(=C1O)Cl)OC(C2)C(=NOC(=O)C)[O-]

Isomeric SMILES

CC(C)CC(=O)C1=CC2=C(C(=C1O)Cl)OC(C2)/C(=N/OC(=O)C)/[O-]

InChI

InChI=1S/C16H18ClNO6/c1-7(2)4-11(20)10-5-9-6-12(16(22)18-24-8(3)19)23-15(9)13(17)14(10)21/h5,7,12,21H,4,6H2,1-3H3,(H,18,22)/p-1