1-(2-bromanyl-4-nitro-phenyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(2-bromanyl-4-nitro-phenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(2-bromo-4-nitro-phenyl)triazole-4-carboxylic acid CAS Name: 1-(2-bromo-4-nitrophenyl)-4-triazolecarboxylic acid IUPAC Name: 1-(2-bromo-4-nitrophenyl)triazole-4-carboxylic acid Traditional Name: 1-(2-bromo-4-nitro-phenyl)triazole-4-carboxylic acid Formula: C9H5BrN4O4 MolecularWeight: 313.0644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Br)N2C=C(N=N2)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Br)N2C=C(N=N2)C(=O)O

InChI

InChI=1S/C9H5BrN4O4/c10-6-3-5(14(17)18)1-2-8(6)13-4-7(9(15)16)11-12-13/h1-4H,(H,15,16)