[(2R)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-benzofuran-2-carboxylate

Systemtic Name: [(2R)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-benzofuran-2-carboxylate Openeye Name: [(1R)-2-(4-methoxy-2-nitro-anilino)-1-methyl-2-oxo-ethyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [(2R)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [(1R)-2-keto-2-(4-methoxy-2-nitro-anilino)-1-methyl-ethyl] ester Formula: C19H16N2O7 MolecularWeight: 384.33954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])OC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])OC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C19H16N2O7/c1-11(27-19(23)17-9-12-5-3-4-6-16(12)28-17)18(22)20-14-8-7-13(26-2)10-15(14)21(24)25/h3-11H,1-2H3,(H,20,22)/t11-/m1/s1