ethyl 2-(5-bromanyl-2-nitro-phenyl)-5-(furan-2-yl)-1,2,4-triazole-3-carboxylate

Systemtic Name: ethyl 2-(5-bromanyl-2-nitro-phenyl)-5-(furan-2-yl)-1,2,4-triazole-3-carboxylate Openeye Name: ethyl 2-(5-bromo-2-nitro-phenyl)-5-(2-furyl)-1,2,4-triazole-3-carboxylate CAS Name: 2-(5-bromo-2-nitrophenyl)-5-(2-furanyl)-1,2,4-triazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(5-bromo-2-nitrophenyl)-5-(furan-2-yl)-1,2,4-triazole-3-carboxylate Traditional Name: 2-(5-bromo-2-nitro-phenyl)-5-(2-furyl)-1,2,4-triazole-3-carboxylic acid ethyl ester Formula: C15H11BrN4O5 MolecularWeight: 407.17564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=NN1C2=C(C=CC(=C2)Br)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=NC(=NN1C2=C(C=CC(=C2)Br)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C15H11BrN4O5/c1-2-24-15(21)14-17-13(12-4-3-7-25-12)18-19(14)11-8-9(16)5-6-10(11)20(22)23/h3-8H,2H2,1H3