O1-methyl O3-[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester O1-methyl ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O7/c1-13(14-6-4-3-5-7-14)11-21-18(23)12-29-20(25)16-8-15(19(24)28-2)9-17(10-16)22(26)27/h3-10,13H,11-12H2,1-2H3,(H,21,23)/t13-/m1/s1