[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-nitrophenoxy)ethanoate

Systemtic Name: [(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-nitrophenoxy)ethanoate Openeye Name: [(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 2-(2-nitrophenoxy)acetate CAS Name: 2-(2-nitrophenoxy)acetic acid [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-(2-nitrophenoxy)acetate Traditional Name: 2-(2-nitrophenoxy)acetic acid [(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)COC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)OC(=O)COC2=CC=CC=C2[N+](=O)[O-]

InChI

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