[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 3-(methoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(methoxymethyl)-2-benzofurancarboxylic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(methoxymethyl)coumarilic acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=C(C3=CC=CC=C3O2)COC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=C(C3=CC=CC=C3O2)COC

InChI

InChI=1S/C20H18N2O7/c1-12(19(23)21-15-8-4-5-9-16(15)22(25)26)28-20(24)18-14(11-27-2)13-7-3-6-10-17(13)29-18/h3-10,12H,11H2,1-2H3,(H,21,23)/t12-/m1/s1