5-(2-methyl-3,5-dinitro-phenyl)-1H-1,2,4-triazol-3-amine

Systemtic Name: 5-(2-methyl-3,5-dinitro-phenyl)-1H-1,2,4-triazol-3-amine Openeye Name: 5-(2-methyl-3,5-dinitro-phenyl)-1H-1,2,4-triazol-3-amine CAS Name: 5-(2-methyl-3,5-dinitrophenyl)-1H-1,2,4-triazol-3-amine IUPAC Name: 5-(2-methyl-3,5-dinitrophenyl)-1H-1,2,4-triazol-3-amine Traditional Name: [5-(2-methyl-3,5-dinitro-phenyl)-1H-1,2,4-triazol-3-yl]amine Formula: C9H8N6O4 MolecularWeight: 264.19762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C2=NC(=NN2)N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C2=NC(=NN2)N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H8N6O4/c1-4-6(8-11-9(10)13-12-8)2-5(14(16)17)3-7(4)15(18)19/h2-3H,1H3,(H3,10,11,12,13)