N-[(1S,2S)-2-cyanocyclohexyl]-4-nitro-benzamide

Systemtic Name: N-[(1S,2S)-2-cyanocyclohexyl]-4-nitro-benzamide Openeye Name: N-[(1S,2S)-2-cyanocyclohexyl]-4-nitro-benzamide CAS Name: N-[(1S,2S)-2-cyanocyclohexyl]-4-nitrobenzamide IUPAC Name: N-[(1S,2S)-2-cyanocyclohexyl]-4-nitrobenzamide Traditional Name: N-[(1S,2S)-2-cyanocyclohexyl]-4-nitro-benzamide Formula: C14H15N3O3 MolecularWeight: 273.2872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C#N)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C#N)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O3/c15-9-11-3-1-2-4-13(11)16-14(18)10-5-7-12(8-6-10)17(19)20/h5-8,11,13H,1-4H2,(H,16,18)/t11-,13+/m1/s1