(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C25H17N3O5 MolecularWeight: 439.41958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)OCC4=CC(=O)OC5=C4C=CC(=C5)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)OCC4=CC(=O)OC5=C4C=CC(=C5)O

InChI

InChI=1S/C25H17N3O5/c29-19-11-12-20-17(13-22(30)33-21(20)14-19)15-32-25(31)23-26-24(16-7-3-1-4-8-16)28(27-23)18-9-5-2-6-10-18/h1-14,29H,15H2