N,2-dimethyl-5-nitro-N-(phenylmethyl)-1,2,4-triazol-3-amine

Systemtic Name: N,2-dimethyl-5-nitro-N-(phenylmethyl)-1,2,4-triazol-3-amine Openeye Name: N-benzyl-N,2-dimethyl-5-nitro-1,2,4-triazol-3-amine CAS Name: N,2-dimethyl-5-nitro-N-(phenylmethyl)-1,2,4-triazol-3-amine IUPAC Name: N-benzyl-N,2-dimethyl-5-nitro-1,2,4-triazol-3-amine Traditional Name: benzyl-methyl-(2-methyl-5-nitro-1,2,4-triazol-3-yl)amine Formula: C11H13N5O2 MolecularWeight: 247.25322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)[N+](=O)[O-])N(C)CC2=CC=CC=C2

Isomeric SMILES

CN1C(=NC(=N1)[N+](=O)[O-])N(C)CC2=CC=CC=C2

InChI

InChI=1S/C11H13N5O2/c1-14(8-9-6-4-3-5-7-9)11-12-10(16(17)18)13-15(11)2/h3-7H,8H2,1-2H3