[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-methyl-6-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-methyl-6-nitro-benzoate Openeye Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5/c1-12-7-6-10-15(20(23)24)17(12)18(22)25-11-16(21)19-13(2)14-8-4-3-5-9-14/h3-10,13H,11H2,1-2H3,(H,19,21)/t13-/m0/s1