[(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate

Systemtic Name: [(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate Openeye Name: [(1S)-2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [(1S)-2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H15FN2O5 MolecularWeight: 346.309803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15FN2O5/c1-10-7-8-12(9-14(10)18)19-16(21)11(2)25-17(22)13-5-3-4-6-15(13)20(23)24/h3-9,11H,1-2H3,(H,19,21)/t11-/m0/s1