1-methyl-3-nitro-4-(2-phenylethynyl)pyrazole

Systemtic Name: 1-methyl-3-nitro-4-(2-phenylethynyl)pyrazole Openeye Name: 1-methyl-3-nitro-4-(2-phenylethynyl)pyrazole CAS Name: 1-methyl-3-nitro-4-(2-phenylethynyl)pyrazole IUPAC Name: 1-methyl-3-nitro-4-(2-phenylethynyl)pyrazole Traditional Name: 1-methyl-3-nitro-4-(2-phenylethynyl)pyrazole Formula: C12H9N3O2 MolecularWeight: 227.21876

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)[N+](=O)[O-])C#CC2=CC=CC=C2

Isomeric SMILES

CN1C=C(C(=N1)[N+](=O)[O-])C#CC2=CC=CC=C2

InChI

InChI=1S/C12H9N3O2/c1-14-9-11(12(13-14)15(16)17)8-7-10-5-3-2-4-6-10/h2-6,9H,1H3