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

Systemtic Name: cyclohexanecarboxylic acid; 2-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one Openeye Name: cyclohexanecarboxylic acid; 2-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one CAS Name: cyclohexanecarboxylic acid; 2-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one IUPAC Name: cyclohexanecarboxylic acid; 2-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one Traditional Name: cyclohexanecarboxylic acid; 2-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)O.C1=CC2=CC=C1C(OC(=O)N2)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)O.C1=CC2=CC=C1C(OC(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C8H6N2O4.C7H12O2/c11-8-9-6-3-1-5(2-4-6)7(14-8)10(12)13;8-7(9)6-4-2-1-3-5-6/h1-4,7H,(H,9,11);6H,1-5H2,(H,8,9)