N3-[(E)-(4-bromanyl-3-nitro-phenyl)methylideneamino]-5-ethyl-1,2,4-triazole-3,4-diamine

Systemtic Name: N3-[(E)-(4-bromanyl-3-nitro-phenyl)methylideneamino]-5-ethyl-1,2,4-triazole-3,4-diamine Openeye Name: N3-[(E)-(4-bromo-3-nitro-phenyl)methyleneamino]-5-ethyl-1,2,4-triazole-3,4-diamine CAS Name: N3-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]-5-ethyl-1,2,4-triazole-3,4-diamine IUPAC Name: 3-N-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]-5-ethyl-1,2,4-triazole-3,4-diamine Traditional Name: (4-amino-5-ethyl-1,2,4-triazol-3-yl)-[(E)-(4-bromo-3-nitro-benzylidene)amino]amine Formula: C11H12BrN7O2 MolecularWeight: 354.16268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N)NN=CC2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1N)N/N=C/C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C11H12BrN7O2/c1-2-10-15-17-11(18(10)13)16-14-6-7-3-4-8(12)9(5-7)19(20)21/h3-6H,2,13H2,1H3,(H,16,17)/b14-6+