5-[3-(4-nitrophenyl)propyl]-1,2,4-triazole-3,4-diamine

Systemtic Name: 5-[3-(4-nitrophenyl)propyl]-1,2,4-triazole-3,4-diamine Openeye Name: 5-[3-(4-nitrophenyl)propyl]-1,2,4-triazole-3,4-diamine CAS Name: 5-[3-(4-nitrophenyl)propyl]-1,2,4-triazole-3,4-diamine IUPAC Name: 5-[3-(4-nitrophenyl)propyl]-1,2,4-triazole-3,4-diamine Traditional Name: [3-amino-5-[3-(4-nitrophenyl)propyl]-1,2,4-triazol-4-yl]amine Formula: C11H14N6O2 MolecularWeight: 262.26786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC2=NN=C(N2N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCCC2=NN=C(N2N)N)[N+](=O)[O-]

InChI

InChI=1S/C11H14N6O2/c12-11-15-14-10(16(11)13)3-1-2-8-4-6-9(7-5-8)17(18)19/h4-7H,1-3,13H2,(H2,12,15)