methyl 3-(5-butyl-2-chloranyl-3H-pyrrol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate

Systemtic Name: methyl 3-(5-butyl-2-chloranyl-3H-pyrrol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate Openeye Name: methyl 3-(5-butyl-2-chloro-3H-pyrrol-3-yl)-4,5-dihydroisoxazole-5-carboxylate CAS Name: 3-(5-butyl-2-chloro-3H-pyrrol-3-yl)-4,5-dihydroisoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(5-butyl-2-chloro-3H-pyrrol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate Traditional Name: 3-(5-butyl-2-chloro-3H-pyrrol-3-yl)-2-isoxazoline-5-carboxylic acid methyl ester Formula: C13H17ClN2O3 MolecularWeight: 284.73868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(C(=N1)Cl)C2=NOC(C2)C(=O)OC

Isomeric SMILES

CCCCC1=CC(C(=N1)Cl)C2=NOC(C2)C(=O)OC

InChI

InChI=1S/C13H17ClN2O3/c1-3-4-5-8-6-9(12(14)15-8)10-7-11(19-16-10)13(17)18-2/h6,9,11H,3-5,7H2,1-2H3