N-(3-ethynylphenyl)-5-nitro-2-piperidin-1-yl-benzamide

Systemtic Name: N-(3-ethynylphenyl)-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-(3-ethynylphenyl)-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-(3-ethynylphenyl)-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-(3-ethynylphenyl)-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-(3-ethynylphenyl)-5-nitro-2-piperidino-benzamide Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C20H19N3O3/c1-2-15-7-6-8-16(13-15)21-20(24)18-14-17(23(25)26)9-10-19(18)22-11-4-3-5-12-22/h1,6-10,13-14H,3-5,11-12H2,(H,21,24)