methyl 2-[4-(azidomethyl)-7-methoxy-2-oxidanylidene-3-(3-oxidanylidenebutyl)-1-benzofuran-3-yl]ethanoate

Systemtic Name: methyl 2-[4-(azidomethyl)-7-methoxy-2-oxidanylidene-3-(3-oxidanylidenebutyl)-1-benzofuran-3-yl]ethanoate Openeye Name: methyl 2-[4-(azidomethyl)-7-methoxy-2-oxo-3-(3-oxobutyl)benzofuran-3-yl]acetate CAS Name: 2-[4-(azidomethyl)-7-methoxy-2-oxo-3-(3-oxobutyl)-3-benzofuranyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(azidomethyl)-7-methoxy-2-oxo-3-(3-oxobutyl)-1-benzofuran-3-yl]acetate Traditional Name: 2-[4-(azidomethyl)-2-keto-3-(3-ketobutyl)-7-methoxy-coumaran-3-yl]acetic acid methyl ester Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1(C2=C(C=CC(=C2OC1=O)OC)CN=[N+]=[N-])CC(=O)OC

Isomeric SMILES

CC(=O)CCC1(C2=C(C=CC(=C2OC1=O)OC)CN=[N+]=[N-])CC(=O)OC

InChI

InChI=1S/C17H19N3O6/c1-10(21)6-7-17(8-13(22)25-3)14-11(9-19-20-18)4-5-12(24-2)15(14)26-16(17)23/h4-5H,6-9H2,1-3H3