O1-methyl O3-[2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-[[(1S)-1-methyl-3-phenyl-propyl]amino]ethyl] ester O1-methyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O7/c1-14(8-9-15-6-4-3-5-7-15)22-19(24)13-30-21(26)17-10-16(20(25)29-2)11-18(12-17)23(27)28/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,22,24)/t14-/m0/s1