1-(4-bromanyl-2-nitro-phenyl)-5-cyclopropyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(4-bromanyl-2-nitro-phenyl)-5-cyclopropyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(4-bromo-2-nitro-phenyl)-5-cyclopropyl-triazole-4-carboxylic acid CAS Name: 1-(4-bromo-2-nitrophenyl)-5-cyclopropyl-4-triazolecarboxylic acid IUPAC Name: 1-(4-bromo-2-nitrophenyl)-5-cyclopropyltriazole-4-carboxylic acid Traditional Name: 1-(4-bromo-2-nitro-phenyl)-5-cyclopropyl-triazole-4-carboxylic acid Formula: C12H9BrN4O4 MolecularWeight: 353.12826

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(N=NN2C3=C(C=C(C=C3)Br)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC1C2=C(N=NN2C3=C(C=C(C=C3)Br)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H9BrN4O4/c13-7-3-4-8(9(5-7)17(20)21)16-11(6-1-2-6)10(12(18)19)14-15-16/h3-6H,1-2H2,(H,18,19)