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

Systemtic Name: ethyl 3-oxidanylidene-2-(4-phenoxyphenyl)-1H-1,2,4-triazole-5-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4/c1-2-23-16(21)15-18-17(22)20(19-15)12-8-10-14(11-9-12)24-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,18,19,22)