(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Traditional Name: 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(N(N=C3C)CC(C)C)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(N(N=C3C)CC(C)C)Cl

InChI

InChI=1S/C21H23ClN2O4/c1-5-14-6-7-16-15(9-18(25)28-17(16)8-14)11-27-21(26)19-13(4)23-24(20(19)22)10-12(2)3/h6-9,12H,5,10-11H2,1-4H3