[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-methoxy-5-nitro-benzoate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC)C2=CC=CC=C2

Isomeric SMILES

C[C@H](CNC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC)C2=CC=CC=C2

InChI

InChI=1S/C19H20N2O6/c1-13(14-6-4-3-5-7-14)11-20-18(22)12-27-19(23)16-10-15(21(24)25)8-9-17(16)26-2/h3-10,13H,11-12H2,1-2H3,(H,20,22)/t13-/m1/s1