1,5-dinitro-3-(phenylmethyl)-3-azabicyclo[3.3.1]non-6-ene-7-carboxamide

Systemtic Name: 1,5-dinitro-3-(phenylmethyl)-3-azabicyclo[3.3.1]non-6-ene-7-carboxamide Openeye Name: 3-benzyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-7-carboxamide CAS Name: 1,5-dinitro-3-(phenylmethyl)-3-azabicyclo[3.3.1]non-6-ene-7-carboxamide IUPAC Name: 3-benzyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-7-carboxamide Traditional Name: 3-benzyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-7-carboxamide Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2(CC1(CN(C2)CC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1C(=CC2(CC1(CN(C2)CC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C16H18N4O5/c17-14(21)13-6-15(19(22)23)9-16(7-13,20(24)25)11-18(10-15)8-12-4-2-1-3-5-12/h1-6H,7-11H2,(H2,17,21)