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

Systemtic Name: O1-methyl O3-[(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[(1R)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: 1-O-methyl 3-O-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(1R)-2-keto-1-phenyl-2-pyrrolidino-ethyl] ester O1-methyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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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)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O[C@H](C2=CC=CC=C2)C(=O)N3CCCC3

InChI

InChI=1S/C21H20N2O7/c1-29-20(25)15-11-16(13-17(12-15)23(27)28)21(26)30-18(14-7-3-2-4-8-14)19(24)22-9-5-6-10-22/h2-4,7-8,11-13,18H,5-6,9-10H2,1H3/t18-/m1/s1