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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: (7-ethyl-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-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-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-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O4/c1-4-6-9-24-20(22)19(13(3)23-24)21(26)27-12-15-11-18(25)28-17-10-14(5-2)7-8-16(15)17/h7-8,10-11H,4-6,9,12H2,1-3H3