bicyclo[2.2.0]hexa-1(4),2,5-triene; 4-ethynyl-1,2-dimethyl-5-nitro-imidazole

Systemtic Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 4-ethynyl-1,2-dimethyl-5-nitro-imidazole Openeye Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 4-ethynyl-1,2-dimethyl-5-nitro-imidazole CAS Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 4-ethynyl-1,2-dimethyl-5-nitroimidazole IUPAC Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 4-ethynyl-1,2-dimethyl-5-nitroimidazole Traditional Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 4-ethynyl-1,2-dimethyl-5-nitro-imidazole Formula: C13H11N3O2 MolecularWeight: 241.24534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1C)[N+](=O)[O-])C#C.C1=CC2=C1C=C2

Isomeric SMILES

CC1=NC(=C(N1C)[N+](=O)[O-])C#C.C1=CC2=C1C=C2

InChI

InChI=1S/C7H7N3O2.C6H4/c1-4-6-7(10(11)12)9(3)5(2)8-6;1-2-6-4-3-5(1)6/h1H,2-3H3;1-4H