N-(2-ethyl-6-methyl-phenyl)-1-(4-nitrophenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-1-(4-nitrophenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide CAS Name: N-(2-ethyl-6-methylphenyl)-1-[(4-nitrophenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-1-(4-nitrobenzoyl)piperidine-4-carboxamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-1-(4-nitrobenzoyl)isonipecotamide Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H25N3O4/c1-3-16-6-4-5-15(2)20(16)23-21(26)17-11-13-24(14-12-17)22(27)18-7-9-19(10-8-18)25(28)29/h4-10,17H,3,11-14H2,1-2H3,(H,23,26)