phenyl 3-methoxy-5-oxidanylidene-4-propan-2-yl-1,2,4-triazole-1-carboxylate

Systemtic Name: phenyl 3-methoxy-5-oxidanylidene-4-propan-2-yl-1,2,4-triazole-1-carboxylate Openeye Name: phenyl 4-isopropyl-3-methoxy-5-oxo-1,2,4-triazole-1-carboxylate CAS Name: 3-methoxy-5-oxo-4-propan-2-yl-1,2,4-triazole-1-carboxylic acid phenyl ester IUPAC Name: phenyl 3-methoxy-5-oxo-4-propan-2-yl-1,2,4-triazole-1-carboxylate Traditional Name: 4-isopropyl-5-keto-3-methoxy-1,2,4-triazole-1-carboxylic acid phenyl ester Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN(C1=O)C(=O)OC2=CC=CC=C2)OC

Isomeric SMILES

CC(C)N1C(=NN(C1=O)C(=O)OC2=CC=CC=C2)OC

InChI

InChI=1S/C13H15N3O4/c1-9(2)15-11(19-3)14-16(12(15)17)13(18)20-10-7-5-4-6-8-10/h4-9H,1-3H3