[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate Openeye Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic acid [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl] ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC(=O)NC1=C(C=CC(=C1C)C)[N+](=O)[O-])OC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C(=O)OCC(=O)NC1=C(C=CC(=C1C)C)[N+](=O)[O-])OC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O6/c1-4-17(28-15-8-6-5-7-9-15)20(24)27-12-18(23)21-19-14(3)13(2)10-11-16(19)22(25)26/h5-11,17H,4,12H2,1-3H3,(H,21,23)/t17-/m1/s1