1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(3-nitrophenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(3-nitrophenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(3-nitrophenyl)methyl]piperidine-4-carboxamide CAS Name: 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(3-nitrophenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(1,3-benzoxazol-2-yl)-N-methyl-N-[(3-nitrophenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(1,3-benzoxazol-2-yl)-N-methyl-N-(3-nitrobenzyl)isonipecotamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H22N4O4/c1-23(14-15-5-4-6-17(13-15)25(27)28)20(26)16-9-11-24(12-10-16)21-22-18-7-2-3-8-19(18)29-21/h2-8,13,16H,9-12,14H2,1H3