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

Systemtic Name: (Z)-6-(4-isocyanato-7-methyl-3-oxidanylidene-6-pent-2-ynyl-1H-2-benzofuran-5-yl)-4-methyl-hex-4-enoate Openeye Name: (Z)-6-(4-isocyanato-7-methyl-3-oxo-6-pent-2-ynyl-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoate CAS Name: (Z)-6-(4-isocyanato-7-methyl-3-oxo-6-pent-2-ynyl-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoate IUPAC Name: (Z)-6-(4-isocyanato-7-methyl-3-oxo-6-pent-2-ynyl-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate Traditional Name: (Z)-6-(4-isocyanato-3-keto-7-methyl-6-pent-2-ynyl-phthalan-5-yl)-4-methyl-hex-4-enoate Formula: C22H22NO5- MolecularWeight: 380.41378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5/c1-4-5-6-7-16-15(3)18-12-28-22(27)20(18)21(23-13-24)17(16)10-8-14(2)9-11-19(25)26/h8H,4,7,9-12H2,1-3H3,(H,25,26)/p-1/b14-8-