3-[(4-bromanyl-3-nitro-phenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: 3-[(4-bromanyl-3-nitro-phenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxylate Openeye Name: 3-[(4-bromo-3-nitro-phenyl)methyleneamino]-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[(4-bromo-3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxylate IUPAC Name: 3-[(4-bromo-3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-[(4-bromo-3-nitro-benzylidene)amino]-1H-1,2,4-triazole-5-carboxylate Formula: C10H5BrN5O4- MolecularWeight: 339.0818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=NC2=NNC(=N2)C(=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=C(C=C1C=NC2=NNC(=N2)C(=O)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C10H6BrN5O4/c11-6-2-1-5(3-7(6)16(19)20)4-12-10-13-8(9(17)18)14-15-10/h1-4H,(H,17,18)(H,13,14,15)/p-1