N-[(1-methylbenzotriazol-5-yl)methyl]-N-(4-nitrophenyl)-1,2,4-triazol-4-amine

Systemtic Name: N-[(1-methylbenzotriazol-5-yl)methyl]-N-(4-nitrophenyl)-1,2,4-triazol-4-amine Openeye Name: N-[(1-methylbenzotriazol-5-yl)methyl]-N-(4-nitrophenyl)-1,2,4-triazol-4-amine CAS Name: N-[(1-methyl-5-benzotriazolyl)methyl]-N-(4-nitrophenyl)-1,2,4-triazol-4-amine IUPAC Name: N-[(1-methylbenzotriazol-5-yl)methyl]-N-(4-nitrophenyl)-1,2,4-triazol-4-amine Traditional Name: (1-methylbenzotriazol-5-yl)methyl-(4-nitrophenyl)-(1,2,4-triazol-4-yl)amine Formula: C16H14N8O2 MolecularWeight: 350.33476

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)CN(C3=CC=C(C=C3)[N+](=O)[O-])N4C=NN=C4)N=N1

Isomeric SMILES

CN1C2=C(C=C(C=C2)CN(C3=CC=C(C=C3)[N+](=O)[O-])N4C=NN=C4)N=N1

InChI

InChI=1S/C16H14N8O2/c1-21-16-7-2-12(8-15(16)19-20-21)9-23(22-10-17-18-11-22)13-3-5-14(6-4-13)24(25)26/h2-8,10-11H,9H2,1H3