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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7/c1-4-22(5-2)19(24)18(14-9-7-6-8-10-14)30-21(26)16-11-15(20(25)29-3)12-17(13-16)23(27)28/h6-13,18H,4-5H2,1-3H3/t18-/m0/s1