2-bromanyl-2-[3-(4-methoxy-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]ethanoic acid

Systemtic Name: 2-bromanyl-2-[3-(4-methoxy-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]ethanoic acid Openeye Name: 2-bromo-2-[3-(4-methoxy-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]acetic acid CAS Name: 2-bromo-2-[3-(4-methoxy-3-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetic acid IUPAC Name: 2-bromo-2-[3-(4-methoxy-3-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetic acid Traditional Name: 2-bromo-2-[3-(4-methoxy-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]acetic acid Formula: C11H9BrN4O5 MolecularWeight: 357.11696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NNC(=N2)C(C(=O)O)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NNC(=N2)C(C(=O)O)Br)[N+](=O)[O-]

InChI

InChI=1S/C11H9BrN4O5/c1-21-7-3-2-5(4-6(7)16(19)20)9-13-10(15-14-9)8(12)11(17)18/h2-4,8H,1H3,(H,17,18)(H,13,14,15)