2-[3-(3-methanoylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(3-methanoylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]ethanoic acid Openeye Name: 2-[3-(3-formylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]acetic acid CAS Name: 2-[3-(3-formylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]acetic acid IUPAC Name: 2-[3-(3-formylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]acetic acid Traditional Name: 2-[3-(3-formylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]acetic acid Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2CC(=O)O)C3=CC(=CC=C3)C=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2CC(=O)O)C3=CC(=CC=C3)C=O

InChI

InChI=1S/C18H15N3O4/c1-25-15-7-5-13(6-8-15)18-19-17(20-21(18)10-16(23)24)14-4-2-3-12(9-14)11-22/h2-9,11H,10H2,1H3,(H,23,24)