ethyl 4-[3-(4-ethoxycarbonylphenyl)-1H-1,2,4-triazol-5-yl]benzoate

Systemtic Name: ethyl 4-[3-(4-ethoxycarbonylphenyl)-1H-1,2,4-triazol-5-yl]benzoate Openeye Name: ethyl 4-[3-(4-ethoxycarbonylphenyl)-1H-1,2,4-triazol-5-yl]benzoate CAS Name: 4-[3-(4-ethoxycarbonylphenyl)-1H-1,2,4-triazol-5-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-ethoxycarbonylphenyl)-1H-1,2,4-triazol-5-yl]benzoate Traditional Name: 4-[3-(4-carbethoxyphenyl)-1H-1,2,4-triazol-5-yl]benzoic acid ethyl ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=NC(=NN2)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=NC(=NN2)C3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C20H19N3O4/c1-3-26-19(24)15-9-5-13(6-10-15)17-21-18(23-22-17)14-7-11-16(12-8-14)20(25)27-4-2/h5-12H,3-4H2,1-2H3,(H,21,22,23)