[(2R)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-methoxy-benzoate

Systemtic Name: [(2R)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-methoxy-benzoate Openeye Name: [(1R)-2-(4-methoxy-2-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-ethoxy-4-methoxy-benzoate CAS Name: 3-ethoxy-4-methoxybenzoic acid [(2R)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 3-ethoxy-4-methoxybenzoate Traditional Name: 3-ethoxy-4-methoxy-benzoic acid [(1R)-2-keto-2-(4-methoxy-2-nitro-anilino)-1-methyl-ethyl] ester Formula: C20H22N2O8 MolecularWeight: 418.39728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)O[C@H](C)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C20H22N2O8/c1-5-29-18-10-13(6-9-17(18)28-4)20(24)30-12(2)19(23)21-15-8-7-14(27-3)11-16(15)22(25)26/h6-12H,5H2,1-4H3,(H,21,23)/t12-/m1/s1