O3-[2-(4-chlorophenyl)-4-methyl-3-oxidanylidene-chromeno[4,3-c]pyrazol-9-yl] O1-ethyl propanedioate

Systemtic Name: O3-[2-(4-chlorophenyl)-4-methyl-3-oxidanylidene-chromeno[4,3-c]pyrazol-9-yl] O1-ethyl propanedioate Openeye Name: O3-[2-(4-chlorophenyl)-4-methyl-3-oxo-chromeno[4,3-c]pyrazol-9-yl] O1-ethyl propanedioate CAS Name: propanedioic acid O3-[2-(4-chlorophenyl)-4-methyl-3-oxo-9-[1]benzopyrano[4,3-c]pyrazolyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-(4-chlorophenyl)-4-methyl-3-oxochromeno[4,3-c]pyrazol-9-yl] 1-O-ethyl propanedioate Traditional Name: malonic acid O3-[2-(4-chlorophenyl)-3-keto-4-methyl-chromeno[4,3-c]pyrazol-9-yl] ester O1-ethyl ester Formula: C22H17ClN2O6 MolecularWeight: 440.83318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)OC1=CC=CC2=C1C3=NN(C(=O)C3=C(O2)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)CC(=O)OC1=CC=CC2=C1C3=NN(C(=O)C3=C(O2)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H17ClN2O6/c1-3-29-17(26)11-18(27)31-16-6-4-5-15-20(16)21-19(12(2)30-15)22(28)25(24-21)14-9-7-13(23)8-10-14/h4-10H,3,11H2,1-2H3