6-chloranyl-3-ethoxycarbonyl-5-methoxy-2-methyl-7-[(propan-2-ylazaniumyl)methyl]-1-benzofuran-4-olate

Systemtic Name: 6-chloranyl-3-ethoxycarbonyl-5-methoxy-2-methyl-7-[(propan-2-ylazaniumyl)methyl]-1-benzofuran-4-olate Openeye Name: 6-chloro-3-ethoxycarbonyl-7-[(isopropylammonio)methyl]-5-methoxy-2-methyl-benzofuran-4-olate CAS Name: 6-chloro-3-ethoxycarbonyl-5-methoxy-2-methyl-7-[(propan-2-ylammonio)methyl]-4-benzofuranolate IUPAC Name: 6-chloro-3-ethoxycarbonyl-5-methoxy-2-methyl-7-[(propan-2-ylazaniumyl)methyl]-1-benzofuran-4-olate Traditional Name: 3-carbethoxy-6-chloro-7-[(isopropylammonio)methyl]-5-methoxy-2-methyl-benzofuran-4-olate Formula: C17H22ClNO5 MolecularWeight: 355.81328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C(=C(C(=C12)[O-])OC)Cl)C[NH2+]C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C(=C(C(=C12)[O-])OC)Cl)C[NH2+]C(C)C)C

InChI

InChI=1S/C17H22ClNO5/c1-6-23-17(21)11-9(4)24-15-10(7-19-8(2)3)13(18)16(22-5)14(20)12(11)15/h8,19-20H,6-7H2,1-5H3