[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C24H17N3O5 MolecularWeight: 427.40888

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)C3=NN(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)C3=NN(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H17N3O5/c28-19(17-11-12-20-21(13-17)32-15-31-20)14-30-24(29)22-25-23(16-7-3-1-4-8-16)27(26-22)18-9-5-2-6-10-18/h1-13H,14-15H2