[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-phenoxypropanoate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-phenoxypropanoate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] (2S)-2-phenoxypropanoate CAS Name: (2S)-2-phenoxypropanoic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate Traditional Name: (2S)-2-phenoxypropionic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C(C)OC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)[C@H](C)OC2=CC=CC=C2

InChI

InChI=1S/C19H20N2O6/c1-12-9-16(17(21(24)25)10-13(12)2)20-18(22)11-26-19(23)14(3)27-15-7-5-4-6-8-15/h4-10,14H,11H2,1-3H3,(H,20,22)/t14-/m0/s1