(Z)-6-(6-ethyl-4-isocyanato-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate

Systemtic Name: (Z)-6-(6-ethyl-4-isocyanato-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate Openeye Name: (Z)-6-(6-ethyl-4-isocyanato-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoate CAS Name: (Z)-6-(6-ethyl-4-isocyanato-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoate IUPAC Name: (Z)-6-(6-ethyl-4-isocyanato-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate Traditional Name: (Z)-6-(6-ethyl-4-isocyanato-3-keto-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoate Formula: C19H20NO5- MolecularWeight: 342.3658

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C1CC=C(C)CCC(=O)[O-])N=C=O)C(=O)OC2)C

Isomeric SMILES

CCC1=C(C2=C(C(=C1C/C=C(/C)\CCC(=O)[O-])N=C=O)C(=O)OC2)C

InChI

InChI=1S/C19H21NO5/c1-4-13-12(3)15-9-25-19(24)17(15)18(20-10-21)14(13)7-5-11(2)6-8-16(22)23/h5H,4,6-9H2,1-3H3,(H,22,23)/p-1/b11-5-