(5-methyl-2-nitro-phenyl) 1-(3,5-dimethoxyphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (5-methyl-2-nitro-phenyl) 1-(3,5-dimethoxyphenyl)carbonylpiperidine-4-carboxylate Openeye Name: (5-methyl-2-nitro-phenyl) 1-(3,5-dimethoxybenzoyl)piperidine-4-carboxylate CAS Name: 1-[(3,5-dimethoxyphenyl)-oxomethyl]-4-piperidinecarboxylic acid (5-methyl-2-nitrophenyl) ester IUPAC Name: (5-methyl-2-nitrophenyl) 1-(3,5-dimethoxybenzoyl)piperidine-4-carboxylate Traditional Name: 1-(3,5-dimethoxybenzoyl)isonipecotic acid (5-methyl-2-nitro-phenyl) ester Formula: C22H24N2O7 MolecularWeight: 428.43516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OC(=O)C2CCN(CC2)C(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OC(=O)C2CCN(CC2)C(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C22H24N2O7/c1-14-4-5-19(24(27)28)20(10-14)31-22(26)15-6-8-23(9-7-15)21(25)16-11-17(29-2)13-18(12-16)30-3/h4-5,10-13,15H,6-9H2,1-3H3