[2-tert-butyl-5-(2-methoxy-2-oxidanylidene-ethyl)pyrazol-3-yl] 4-chloranylbenzoate

Systemtic Name: [2-tert-butyl-5-(2-methoxy-2-oxidanylidene-ethyl)pyrazol-3-yl] 4-chloranylbenzoate Openeye Name: [2-tert-butyl-5-(2-methoxy-2-oxo-ethyl)pyrazol-3-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-tert-butyl-5-(2-methoxy-2-oxoethyl)-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-5-(2-methoxy-2-oxoethyl)pyrazol-3-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-tert-butyl-5-(2-keto-2-methoxy-ethyl)pyrazol-3-yl] ester Formula: C17H19ClN2O4 MolecularWeight: 350.79676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=CC(=N1)CC(=O)OC)OC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)N1C(=CC(=N1)CC(=O)OC)OC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H19ClN2O4/c1-17(2,3)20-14(9-13(19-20)10-15(21)23-4)24-16(22)11-5-7-12(18)8-6-11/h5-9H,10H2,1-4H3