N-[(1S,6S)-6-azidocyclohex-3-en-1-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[(1S,6S)-6-azidocyclohex-3-en-1-yl]-3,5-dinitro-benzamide Openeye Name: N-[(1S,6S)-6-azidocyclohex-3-en-1-yl]-3,5-dinitro-benzamide CAS Name: N-[(1S,6S)-6-azido-1-cyclohex-3-enyl]-3,5-dinitrobenzamide IUPAC Name: N-[(1S,6S)-6-azidocyclohex-3-en-1-yl]-3,5-dinitrobenzamide Traditional Name: N-[(1S,6S)-6-azidocyclohex-3-en-1-yl]-3,5-dinitro-benzamide Formula: C13H12N6O5 MolecularWeight: 332.27158

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])N=[N+]=[N-]

Isomeric SMILES

C1C=CC[C@@H]([C@H]1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])N=[N+]=[N-]

InChI

InChI=1S/C13H12N6O5/c14-17-16-12-4-2-1-3-11(12)15-13(20)8-5-9(18(21)22)7-10(6-8)19(23)24/h1-2,5-7,11-12H,3-4H2,(H,15,20)/t11-,12-/m0/s1