(phenylmethyl) 3-ethoxy-4-(3-ethoxy-3-oxidanylidene-propyl)pyrazole-1-carboxylate

Systemtic Name: (phenylmethyl) 3-ethoxy-4-(3-ethoxy-3-oxidanylidene-propyl)pyrazole-1-carboxylate Openeye Name: benzyl 3-ethoxy-4-(3-ethoxy-3-oxo-propyl)pyrazole-1-carboxylate CAS Name: 3-ethoxy-4-(3-ethoxy-3-oxopropyl)-1-pyrazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-ethoxy-4-(3-ethoxy-3-oxopropyl)pyrazole-1-carboxylate Traditional Name: 3-ethoxy-4-(3-ethoxy-3-keto-propyl)pyrazole-1-carboxylic acid benzyl ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C=C1CCC(=O)OCC)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC1=NN(C=C1CCC(=O)OCC)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H22N2O5/c1-3-23-16(21)11-10-15-12-20(19-17(15)24-4-2)18(22)25-13-14-8-6-5-7-9-14/h5-9,12H,3-4,10-11,13H2,1-2H3