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

Systemtic Name: 3,5-dinitro-N-[(1S,2S)-2-phenylmethoxycyclohexyl]benzamide Openeye Name: N-[(1S,2S)-2-benzyloxycyclohexyl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[(1S,2S)-2-phenylmethoxycyclohexyl]benzamide IUPAC Name: 3,5-dinitro-N-[(1S,2S)-2-phenylmethoxycyclohexyl]benzamide Traditional Name: N-[(1S,2S)-2-benzoxycyclohexyl]-3,5-dinitro-benzamide Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

C1CC[C@@H]([C@H](C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O6/c24-20(15-10-16(22(25)26)12-17(11-15)23(27)28)21-18-8-4-5-9-19(18)29-13-14-6-2-1-3-7-14/h1-3,6-7,10-12,18-19H,4-5,8-9,13H2,(H,21,24)/t18-,19-/m0/s1