bicyclo[2.2.1]hepta-1,3,5-triene; (3-ethynyl-2-nitro-phenyl)carbamic acid

Systemtic Name: bicyclo[2.2.1]hepta-1,3,5-triene; (3-ethynyl-2-nitro-phenyl)carbamic acid Openeye Name: bicyclo[2.2.1]hepta-1,3,5-triene; (3-ethynyl-2-nitro-phenyl)carbamic acid CAS Name: bicyclo[2.2.1]hepta-1,3,5-triene; (3-ethynyl-2-nitrophenyl)carbamic acid IUPAC Name: bicyclo[2.2.1]hepta-1,3,5-triene; (3-ethynyl-2-nitrophenyl)carbamic acid Traditional Name: bicyclo[2.2.1]hepta-1,3,5-triene; (3-ethynyl-2-nitro-phenyl)carbamic acid Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C(=CC=C1)NC(=O)O)[N+](=O)[O-].C1C2=CC=C1C=C2

Isomeric SMILES

C#CC1=C(C(=CC=C1)NC(=O)O)[N+](=O)[O-].C1C2=CC=C1C=C2

InChI

InChI=1S/C9H6N2O4.C7H6/c1-2-6-4-3-5-7(10-9(12)13)8(6)11(14)15;1-2-7-4-3-6(1)5-7/h1,3-5,10H,(H,12,13);1-4H,5H2