[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7/c1-13(14-7-5-4-6-8-14)11-21-19(23)12-29-20(24)15-9-17(27-2)18(28-3)10-16(15)22(25)26/h4-10,13H,11-12H2,1-3H3,(H,21,23)/t13-/m1/s1