N-[(2S)-3-methylbutan-2-yl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[(2S)-3-methylbutan-2-yl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(1S)-1,2-dimethylpropyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(2S)-3-methylbutan-2-yl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(2S)-3-methylbutan-2-yl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(1S)-1,2-dimethylpropyl]-3-nitro-4-piperidino-benzamide Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O3/c1-12(2)13(3)18-17(21)14-7-8-15(16(11-14)20(22)23)19-9-5-4-6-10-19/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,18,21)/t13-/m0/s1