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

Systemtic Name: (Z)-6-(6-ethynyl-4-isocyanato-7-methyl-3-oxidanylidene-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate Openeye Name: (Z)-6-(6-ethynyl-4-isocyanato-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoate CAS Name: (Z)-6-(6-ethynyl-4-isocyanato-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoate IUPAC Name: (Z)-6-(6-ethynyl-4-isocyanato-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate Traditional Name: (Z)-6-(6-ethynyl-4-isocyanato-3-keto-7-methyl-phthalan-5-yl)-4-methyl-hex-4-enoate Formula: C19H16NO5- MolecularWeight: 338.33404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)N=C=O)CC=C(C)CCC(=O)[O-])C#C

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)N=C=O)C/C=C(/C)\CCC(=O)[O-])C#C

InChI

InChI=1S/C19H17NO5/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/h1,5H,6-9H2,2-3H3,(H,22,23)/p-1/b11-5-