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

Systemtic Name: N-butyl-2-methyl-5-nitro-N-(phenylmethyl)-1,2,4-triazol-3-amine Openeye Name: N-benzyl-N-butyl-2-methyl-5-nitro-1,2,4-triazol-3-amine CAS Name: N-butyl-2-methyl-5-nitro-N-(phenylmethyl)-1,2,4-triazol-3-amine IUPAC Name: N-benzyl-N-butyl-2-methyl-5-nitro-1,2,4-triazol-3-amine Traditional Name: benzyl-butyl-(2-methyl-5-nitro-1,2,4-triazol-3-yl)amine Formula: C14H19N5O2 MolecularWeight: 289.33296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C2=NC(=NN2C)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C2=NC(=NN2C)[N+](=O)[O-]

InChI

InChI=1S/C14H19N5O2/c1-3-4-10-18(11-12-8-6-5-7-9-12)14-15-13(19(20)21)16-17(14)2/h5-9H,3-4,10-11H2,1-2H3