2,3,6-trimethyl-4-(3-nitrophenyl)-5-(oxolan-2-ylmethyl)piperidine-3,5-dicarboxylic acid

Systemtic Name: 2,3,6-trimethyl-4-(3-nitrophenyl)-5-(oxolan-2-ylmethyl)piperidine-3,5-dicarboxylic acid Openeye Name: 2,3,6-trimethyl-4-(3-nitrophenyl)-5-(tetrahydrofuran-2-ylmethyl)piperidine-3,5-dicarboxylic acid CAS Name: 2,3,6-trimethyl-4-(3-nitrophenyl)-5-(2-oxolanylmethyl)piperidine-3,5-dicarboxylic acid IUPAC Name: 2,3,6-trimethyl-4-(3-nitrophenyl)-5-(oxolan-2-ylmethyl)piperidine-3,5-dicarboxylic acid Traditional Name: 2,3,6-trimethyl-4-(3-nitrophenyl)-5-(tetrahydrofurfuryl)piperidine-3,5-dicarboxylic acid Formula: C21H28N2O7 MolecularWeight: 420.45622

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(N1)C)(CC2CCCO2)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])(C)C(=O)O

Isomeric SMILES

CC1C(C(C(C(N1)C)(CC2CCCO2)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])(C)C(=O)O

InChI

InChI=1S/C21H28N2O7/c1-12-20(3,18(24)25)17(14-6-4-7-15(10-14)23(28)29)21(19(26)27,13(2)22-12)11-16-8-5-9-30-16/h4,6-7,10,12-13,16-17,22H,5,8-9,11H2,1-3H3,(H,24,25)(H,26,27)