[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C)OC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C(=O)OCC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C)OC2=CC=CC=C2

InChI

InChI=1S/C19H20N2O6/c1-3-16(27-14-9-5-4-6-10-14)19(23)26-12-17(22)20-18-13(2)8-7-11-15(18)21(24)25/h4-11,16H,3,12H2,1-2H3,(H,20,22)/t16-/m1/s1