[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-nitrobenzoate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5/c1-13(14-6-3-2-4-7-14)11-19-17(21)12-25-18(22)15-8-5-9-16(10-15)20(23)24/h2-10,13H,11-12H2,1H3,(H,19,21)/t13-/m1/s1