[(2R)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [(2R)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [(1R)-2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [(1R)-2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OC(C)C(=O)NC2=C(C=CC=C2C)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)O[C@H](C)C(=O)NC2=C(C=CC=C2C)C)[N+](=O)[O-])OC

InChI

InChI=1S/C21H24N2O7/c1-6-29-18-10-15(16(23(26)27)11-17(18)28-5)21(25)30-14(4)20(24)22-19-12(2)8-7-9-13(19)3/h7-11,14H,6H2,1-5H3,(H,22,24)/t14-/m1/s1