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

Systemtic Name: N3-[(E)-(4-bromanyl-3-nitro-phenyl)methylideneamino]-1,2,4-triazole-3,4-diamine Openeye Name: N3-[(E)-(4-bromo-3-nitro-phenyl)methyleneamino]-1,2,4-triazole-3,4-diamine CAS Name: N3-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine IUPAC Name: 3-N-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine Traditional Name: (4-amino-1,2,4-triazol-3-yl)-[(E)-(4-bromo-3-nitro-benzylidene)amino]amine Formula: C9H8BrN7O2 MolecularWeight: 326.10952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=NNC2=NN=CN2N)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=C(C=C1/C=N/NC2=NN=CN2N)[N+](=O)[O-])Br

InChI

InChI=1S/C9H8BrN7O2/c10-7-2-1-6(3-8(7)17(18)19)4-12-14-9-15-13-5-16(9)11/h1-5H,11H2,(H,14,15)/b12-4+