5-(imidazol-1-ylmethyl)-3-(3-nitrophenyl)-1H-1,2,4-triazole

Systemtic Name: 5-(imidazol-1-ylmethyl)-3-(3-nitrophenyl)-1H-1,2,4-triazole Openeye Name: 5-(imidazol-1-ylmethyl)-3-(3-nitrophenyl)-1H-1,2,4-triazole CAS Name: 5-(1-imidazolylmethyl)-3-(3-nitrophenyl)-1H-1,2,4-triazole IUPAC Name: 5-(imidazol-1-ylmethyl)-3-(3-nitrophenyl)-1H-1,2,4-triazole Traditional Name: 5-(imidazol-1-ylmethyl)-3-(3-nitrophenyl)-1H-1,2,4-triazole Formula: C12H10N6O2 MolecularWeight: 270.2468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=N2)CN3C=CN=C3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=N2)CN3C=CN=C3

InChI

InChI=1S/C12H10N6O2/c19-18(20)10-3-1-2-9(6-10)12-14-11(15-16-12)7-17-5-4-13-8-17/h1-6,8H,7H2,(H,14,15,16)