5-(3-methyl-4-nitro-phenyl)-1H-1,2,4-triazole

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC=NN2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC=NN2)[N+](=O)[O-]

InChI

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