2-[carboxymethyl-(2,2-dimethyl-3H-1-benzofuran-7-yl)amino]-2-oxidanylidene-ethanoate benzoate

Systemtic Name: 2-[carboxymethyl-(2,2-dimethyl-3H-1-benzofuran-7-yl)amino]-2-oxidanylidene-ethanoate benzoate Openeye Name: 2-[carboxymethyl-(2,2-dimethyl-3H-benzofuran-7-yl)amino]-2-oxo-acetate benzoate CAS Name: 2-[carboxymethyl-(2,2-dimethyl-3H-benzofuran-7-yl)amino]-2-oxoacetate benzoate IUPAC Name: 2-[carboxymethyl-(2,2-dimethyl-3H-1-benzofuran-7-yl)amino]-2-oxoacetate benzoate Traditional Name: 2-[carboxymethyl-(2,2-dimethylcoumaran-7-yl)amino]-2-keto-acetate benzoate Formula: C21H19NO8-2 MolecularWeight: 413.37746

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)N(CC(=O)O)C(=O)C(=O)[O-])C.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)N(CC(=O)O)C(=O)C(=O)[O-])C.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C14H15NO6.C7H6O2/c1-14(2)6-8-4-3-5-9(11(8)21-14)15(7-10(16)17)12(18)13(19)20;8-7(9)6-4-2-1-3-5-6/h3-5H,6-7H2,1-2H3,(H,16,17)(H,19,20);1-5H,(H,8,9)/p-2