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

Systemtic Name: [(2R)-1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethoxy-3-nitro-benzoate Openeye Name: [(1R)-2-(3-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [(1R)-2-(3-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H19ClN2O6 MolecularWeight: 406.81696

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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=C2)Cl)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O6/c1-4-27-17-9-8-13(10-16(17)22(25)26)19(24)28-12(3)18(23)21-15-7-5-6-14(20)11(15)2/h5-10,12H,4H2,1-3H3,(H,21,23)/t12-/m1/s1