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

Systemtic Name: O1-ethyl O3-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl] ester IUPAC Name: 1-O-ethyl 3-O-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C22H22N2O7 MolecularWeight: 426.41928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O7/c1-2-30-21(26)17-11-18(13-19(12-17)24(28)29)22(27)31-14-15-5-7-16(8-6-15)20(25)23-9-3-4-10-23/h5-8,11-13H,2-4,9-10,14H2,1H3