(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 1-butyl-5-chloro-3-methyl-4-pyrazolecarboxylic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)O)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)O)Cl

InChI

InChI=1S/C20H21ClN2O5/c1-4-5-8-23-19(21)17(12(3)22-23)20(26)27-10-13-9-16(25)28-18-11(2)15(24)7-6-14(13)18/h6-7,9,24H,4-5,8,10H2,1-3H3