3-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[4-[(2-nitrophenyl)methyl]-1-piperazinyl]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[4-(2-nitrobenzyl)piperazino]-1H-1,2,4-triazol-5-yl]amine Formula: C13H17N7O2 MolecularWeight: 303.31978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2[N+](=O)[O-])C3=NNC(=N3)N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2[N+](=O)[O-])C3=NNC(=N3)N

InChI

InChI=1S/C13H17N7O2/c14-12-15-13(17-16-12)19-7-5-18(6-8-19)9-10-3-1-2-4-11(10)20(21)22/h1-4H,5-9H2,(H3,14,15,16,17)