4-chloranyl-6-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-2-methyl-1-benzofuran-5-olate

Systemtic Name: 4-chloranyl-6-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-2-methyl-1-benzofuran-5-olate Openeye Name: 4-chloro-6-[(dimethylammonio)methyl]-3-ethoxycarbonyl-2-methyl-benzofuran-5-olate CAS Name: 4-chloro-6-[(dimethylammonio)methyl]-3-ethoxycarbonyl-2-methyl-5-benzofuranolate IUPAC Name: 4-chloro-6-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-2-methyl-1-benzofuran-5-olate Traditional Name: 3-carbethoxy-4-chloro-6-[(dimethylammonio)methyl]-2-methyl-benzofuran-5-olate Formula: C15H18ClNO4 MolecularWeight: 311.76072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)C[NH+](C)C)[O-])Cl)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)C[NH+](C)C)[O-])Cl)C

InChI

InChI=1S/C15H18ClNO4/c1-5-20-15(19)11-8(2)21-10-6-9(7-17(3)4)14(18)13(16)12(10)11/h6,18H,5,7H2,1-4H3