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

Systemtic Name: [5-(2-methoxy-2-oxidanylidene-ethyl)-2-methyl-pyrazol-3-yl] 4-chloranylbenzoate Openeye Name: [5-(2-methoxy-2-oxo-ethyl)-2-methyl-pyrazol-3-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [5-(2-methoxy-2-oxoethyl)-2-methyl-3-pyrazolyl] ester IUPAC Name: [5-(2-methoxy-2-oxoethyl)-2-methylpyrazol-3-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [5-(2-keto-2-methoxy-ethyl)-2-methyl-pyrazol-3-yl] ester Formula: C14H13ClN2O4 MolecularWeight: 308.71702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)CC(=O)OC)OC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C(=CC(=N1)CC(=O)OC)OC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H13ClN2O4/c1-17-12(7-11(16-17)8-13(18)20-2)21-14(19)9-3-5-10(15)6-4-9/h3-7H,8H2,1-2H3