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

Systemtic Name: 3,5-dinitro-N-[(1S,2S)-2-propan-2-yloxycyclohexyl]benzamide Openeye Name: N-[(1S,2S)-2-isopropoxycyclohexyl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[(1S,2S)-2-propan-2-yloxycyclohexyl]benzamide IUPAC Name: 3,5-dinitro-N-[(1S,2S)-2-propan-2-yloxycyclohexyl]benzamide Traditional Name: N-[(1S,2S)-2-isopropoxycyclohexyl]-3,5-dinitro-benzamide Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1CCCCC1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6/c1-10(2)25-15-6-4-3-5-14(15)17-16(20)11-7-12(18(21)22)9-13(8-11)19(23)24/h7-10,14-15H,3-6H2,1-2H3,(H,17,20)/t14-,15-/m0/s1