1-(4-ethanoyl-2-nitro-phenyl)-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-ethanoyl-2-nitro-phenyl)-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: 1-(4-acetyl-2-nitro-phenyl)-N-benzyl-piperidine-4-carboxamide CAS Name: 1-(4-acetyl-2-nitrophenyl)-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-acetyl-2-nitrophenyl)-N-benzylpiperidine-4-carboxamide Traditional Name: 1-(4-acetyl-2-nitro-phenyl)-N-benzyl-isonipecotamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-15(25)18-7-8-19(20(13-18)24(27)28)23-11-9-17(10-12-23)21(26)22-14-16-5-3-2-4-6-16/h2-8,13,17H,9-12,14H2,1H3,(H,22,26)