4-[(2-azanyl-5-nitro-phenyl)methyl]-2,5-dimethyl-1,2,4-triazol-4-ium-3-amine

Systemtic Name: 4-[(2-azanyl-5-nitro-phenyl)methyl]-2,5-dimethyl-1,2,4-triazol-4-ium-3-amine Openeye Name: 4-[(2-amino-5-nitro-phenyl)methyl]-2,5-dimethyl-1,2,4-triazol-4-ium-3-amine CAS Name: 4-[(2-amino-5-nitrophenyl)methyl]-2,5-dimethyl-1,2,4-triazol-4-ium-3-amine IUPAC Name: 4-[(2-amino-5-nitrophenyl)methyl]-2,5-dimethyl-1,2,4-triazol-4-ium-3-amine Traditional Name: [2-[(5-amino-1,3-dimethyl-1,2,4-triazol-4-ium-4-yl)methyl]-4-nitro-phenyl]amine Formula: C11H15N6O2+ MolecularWeight: 263.2758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=[N+]1CC2=C(C=CC(=C2)[N+](=O)[O-])N)N)C

Isomeric SMILES

CC1=NN(C(=[N+]1CC2=C(C=CC(=C2)[N+](=O)[O-])N)N)C

InChI

InChI=1S/C11H14N6O2/c1-7-14-15(2)11(13)16(7)6-8-5-9(17(18)19)3-4-10(8)12/h3-5,13H,6,12H2,1-2H3/p+1