methyl 5-bromanyl-1-[(4-nitrophenyl)methyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: methyl 5-bromanyl-1-[(4-nitrophenyl)methyl]-1,2,3-triazole-4-carboxylate Openeye Name: methyl 5-bromo-1-[(4-nitrophenyl)methyl]triazole-4-carboxylate CAS Name: 5-bromo-1-[(4-nitrophenyl)methyl]-4-triazolecarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-1-[(4-nitrophenyl)methyl]triazole-4-carboxylate Traditional Name: 5-bromo-1-(4-nitrobenzyl)triazole-4-carboxylic acid methyl ester Formula: C11H9BrN4O4 MolecularWeight: 341.11756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)CC2=CC=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

COC(=O)C1=C(N(N=N1)CC2=CC=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C11H9BrN4O4/c1-20-11(17)9-10(12)15(14-13-9)6-7-2-4-8(5-3-7)16(18)19/h2-5H,6H2,1H3