propan-2-yl 3-oxidanylidene-2-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: propan-2-yl 3-oxidanylidene-2-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-carboxylate Openeye Name: isopropyl 3-oxo-2-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-oxo-2-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-oxo-2-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-keto-2-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-carboxylic acid isopropyl ester Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=NC(=O)N(N1)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)C1=NC(=O)N(N1)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O4/c1-12(2)24-17(22)16-19-18(23)21(20-16)13-8-10-15(11-9-13)25-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,20,23)