propan-2-yl 5-oxidanylidene-4-(phenylmethyl)-3-propan-2-yloxy-1,2,4-triazole-1-carboxylate

Systemtic Name: propan-2-yl 5-oxidanylidene-4-(phenylmethyl)-3-propan-2-yloxy-1,2,4-triazole-1-carboxylate Openeye Name: isopropyl 4-benzyl-3-isopropoxy-5-oxo-1,2,4-triazole-1-carboxylate CAS Name: 5-oxo-4-(phenylmethyl)-3-propan-2-yloxy-1,2,4-triazole-1-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-benzyl-5-oxo-3-propan-2-yloxy-1,2,4-triazole-1-carboxylate Traditional Name: 4-benzyl-3-isopropoxy-5-keto-1,2,4-triazole-1-carboxylic acid isopropyl ester Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NN(C(=O)N1CC2=CC=CC=C2)C(=O)OC(C)C

Isomeric SMILES

CC(C)OC1=NN(C(=O)N1CC2=CC=CC=C2)C(=O)OC(C)C

InChI

InChI=1S/C16H21N3O4/c1-11(2)22-14-17-19(16(21)23-12(3)4)15(20)18(14)10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3