8-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one; pent-2-ynoate

Systemtic Name: 8-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one; pent-2-ynoate Openeye Name: 8-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one; pent-2-ynoate CAS Name: 8-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one; 2-pentynoate IUPAC Name: 8-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one; pent-2-ynoate Traditional Name: 8-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one; pent-2-ynoate Formula: C13H11N2O6- MolecularWeight: 291.23624

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(=O)[O-].C1C2=C(C=C(C=C2)NC(=O)O1)[N+](=O)[O-]

Isomeric SMILES

CCC#CC(=O)[O-].C1C2=C(C=C(C=C2)NC(=O)O1)[N+](=O)[O-]

InChI

InChI=1S/C8H6N2O4.C5H6O2/c11-8-9-6-2-1-5(4-14-8)7(3-6)10(12)13;1-2-3-4-5(6)7/h1-3H,4H2,(H,9,11);2H2,1H3,(H,6,7)/p-1