O1-ethyl O3-[1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7/c1-4-29-20(25)16-10-17(12-18(11-16)23(27)28)21(26)30-14(3)19(24)22-13(2)15-8-6-5-7-9-15/h5-14H,4H2,1-3H3,(H,22,24)