1-[2-(methylamino)-5-nitro-phenyl]carbonyl-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[2-(methylamino)-5-nitro-phenyl]carbonyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[2-(methylamino)-5-nitro-benzoyl]piperidine-4-carboxamide CAS Name: 1-[[2-(methylamino)-5-nitrophenyl]-oxomethyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[2-(methylamino)-5-nitrobenzoyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[2-(methylamino)-5-nitro-benzoyl]isonipecotamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O4/c1-22-19-8-7-17(25(28)29)13-18(19)21(27)24-11-9-16(10-12-24)20(26)23-14-15-5-3-2-4-6-15/h2-8,13,16,22H,9-12,14H2,1H3,(H,23,26)