O1-methyl O3-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl] ester IUPAC Name: 1-O-methyl 3-O-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[4-(pyrrolidine-1-carbonyl)benzyl] 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)OCC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C21H20N2O7/c1-29-20(25)16-10-17(12-18(11-16)23(27)28)21(26)30-13-14-4-6-15(7-5-14)19(24)22-8-2-3-9-22/h4-7,10-12H,2-3,8-9,13H2,1H3