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

Systemtic Name: N3-[(E)-(4-bromanyl-3-nitro-phenyl)methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine Openeye Name: N3-[(E)-(4-bromo-3-nitro-phenyl)methyleneamino]-5-methyl-1,2,4-triazole-3,4-diamine CAS Name: N3-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine IUPAC Name: 3-N-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine Traditional Name: (4-amino-5-methyl-1,2,4-triazol-3-yl)-[(E)-(4-bromo-3-nitro-benzylidene)amino]amine Formula: C10H10BrN7O2 MolecularWeight: 340.1361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)NN=CC2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1N)N/N=C/C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C10H10BrN7O2/c1-6-14-16-10(17(6)12)15-13-5-7-2-3-8(11)9(4-7)18(19)20/h2-5H,12H2,1H3,(H,15,16)/b13-5+