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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)OC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O7/c1-12(2)14-5-7-17(8-6-14)22-19(24)13(3)30-21(26)16-9-15(20(25)29-4)10-18(11-16)23(27)28/h5-13H,1-4H3,(H,22,24)/t13-/m0/s1