(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C21H15ClN2O5 MolecularWeight: 410.8072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H15ClN2O5/c1-27-15-6-7-16-13(8-20(25)29-19(16)9-15)11-28-21(26)18-10-17(23-24-18)12-2-4-14(22)5-3-12/h2-10H,11H2,1H3,(H,23,24)