3-[2-cyano-1-(2,3-dimethyl-1-benzofuran-6-yl)ethoxy]-3-oxidanylidene-propanoate

Systemtic Name: 3-[2-cyano-1-(2,3-dimethyl-1-benzofuran-6-yl)ethoxy]-3-oxidanylidene-propanoate Openeye Name: 3-[2-cyano-1-(2,3-dimethylbenzofuran-6-yl)ethoxy]-3-oxo-propanoate CAS Name: 3-[2-cyano-1-(2,3-dimethyl-6-benzofuranyl)ethoxy]-3-oxopropanoate IUPAC Name: 3-[2-cyano-1-(2,3-dimethyl-1-benzofuran-6-yl)ethoxy]-3-oxopropanoate Traditional Name: 3-[2-cyano-1-(2,3-dimethylbenzofuran-6-yl)ethoxy]-3-keto-propionate Formula: C16H14NO5- MolecularWeight: 300.28606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC(=C2)C(CC#N)OC(=O)CC(=O)[O-])C

Isomeric SMILES

CC1=C(OC2=C1C=CC(=C2)C(CC#N)OC(=O)CC(=O)[O-])C

InChI

InChI=1S/C16H15NO5/c1-9-10(2)21-14-7-11(3-4-12(9)14)13(5-6-17)22-16(20)8-15(18)19/h3-4,7,13H,5,8H2,1-2H3,(H,18,19)/p-1