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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: (7-methoxy-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-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-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 (2-keto-7-methoxy-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(=C3)OC)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC)Cl

InChI

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