1-methyl-3-nitro-5-phenyl-1,2,4-triazole

Systemtic Name: 1-methyl-3-nitro-5-phenyl-1,2,4-triazole Openeye Name: 1-methyl-3-nitro-5-phenyl-1,2,4-triazole CAS Name: 1-methyl-3-nitro-5-phenyl-1,2,4-triazole IUPAC Name: 1-methyl-3-nitro-5-phenyl-1,2,4-triazole Traditional Name: 1-methyl-3-nitro-5-phenyl-1,2,4-triazole Formula: C9H8N4O2 MolecularWeight: 204.18542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CN1C(=NC(=N1)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C9H8N4O2/c1-12-8(7-5-3-2-4-6-7)10-9(11-12)13(14)15/h2-6H,1H3