[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate

Systemtic Name: [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C18H17FN2O5 MolecularWeight: 360.336383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN2O5/c1-11-15(4-3-5-16(11)21(24)25)18(23)26-10-17(22)20-12(2)13-6-8-14(19)9-7-13/h3-9,12H,10H2,1-2H3,(H,20,22)/t12-/m0/s1