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

Systemtic Name: 2-[3-(3-methoxy-4-nitro-phenyl)-1H-1,2,4-triazol-5-yl]ethanoic acid Openeye Name: 2-[3-(3-methoxy-4-nitro-phenyl)-1H-1,2,4-triazol-5-yl]acetic acid CAS Name: 2-[3-(3-methoxy-4-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetic acid IUPAC Name: 2-[3-(3-methoxy-4-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetic acid Traditional Name: 2-[3-(3-methoxy-4-nitro-phenyl)-1H-1,2,4-triazol-5-yl]acetic acid Formula: C11H10N4O5 MolecularWeight: 278.2209

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N4O5/c1-20-8-4-6(2-3-7(8)15(18)19)11-12-9(13-14-11)5-10(16)17/h2-4H,5H2,1H3,(H,16,17)(H,12,13,14)