N-[(1S,2S)-2-methoxycyclohexyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(1S,2S)-2-methoxycyclohexyl]-3,5-dinitro-benzamide Openeye Name: N-[(1S,2S)-2-methoxycyclohexyl]-3,5-dinitro-benzamide CAS Name: N-[(1S,2S)-2-methoxycyclohexyl]-3,5-dinitrobenzamide IUPAC Name: N-[(1S,2S)-2-methoxycyclohexyl]-3,5-dinitrobenzamide Traditional Name: N-[(1S,2S)-2-methoxycyclohexyl]-3,5-dinitro-benzamide Formula: C14H17N3O6 MolecularWeight: 323.30128

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCCCC1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CO[C@H]1CCCC[C@@H]1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O6/c1-23-13-5-3-2-4-12(13)15-14(18)9-6-10(16(19)20)8-11(7-9)17(21)22/h6-8,12-13H,2-5H2,1H3,(H,15,18)/t12-,13-/m0/s1