[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-phenoxypropanoate

Systemtic Name: [2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-phenoxypropanoate Openeye Name: [2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl] (2S)-2-phenoxypropanoate CAS Name: (2S)-2-phenoxypropanoic acid [2-(2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-nitroanilino)-2-oxoethyl] (2S)-2-phenoxypropanoate Traditional Name: (2S)-2-phenoxypropionic acid [2-keto-2-(2-methyl-4-nitro-anilino)ethyl] ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C(C)OC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)[C@H](C)OC2=CC=CC=C2

InChI

InChI=1S/C18H18N2O6/c1-12-10-14(20(23)24)8-9-16(12)19-17(21)11-25-18(22)13(2)26-15-6-4-3-5-7-15/h3-10,13H,11H2,1-2H3,(H,19,21)/t13-/m0/s1