[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)ethanoate Openeye Name: [(1R)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-(6-methylbenzofuran-3-yl)acetate CAS Name: 2-(6-methyl-3-benzofuranyl)acetic acid [(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-methylbenzofuran-3-yl)acetic acid [(1R)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CO2)CC(=O)OC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CO2)CC(=O)O[C@H](C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H20N2O7/c1-12-4-6-16-14(11-29-19(16)8-12)9-20(24)30-13(2)21(25)22-17-10-15(23(26)27)5-7-18(17)28-3/h4-8,10-11,13H,9H2,1-3H3,(H,22,25)/t13-/m1/s1