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

Systemtic Name: O3-[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester O1-methyl ester IUPAC Name: 3-O-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester O1-methyl ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C20H18N2O7/c1-28-19(24)13-9-14(11-16(10-13)22(26)27)20(25)29-17(12-5-3-2-4-6-12)18(23)21-15-7-8-15/h2-6,9-11,15,17H,7-8H2,1H3,(H,21,23)/t17-/m1/s1