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

Systemtic Name: 3-(5-butyl-2-chloranyl-3H-pyrrol-3-yl)-4,5-dihydro-1,2-oxazole-5-carbonitrile Openeye Name: 3-(5-butyl-2-chloro-3H-pyrrol-3-yl)-4,5-dihydroisoxazole-5-carbonitrile CAS Name: 3-(5-butyl-2-chloro-3H-pyrrol-3-yl)-4,5-dihydroisoxazole-5-carbonitrile IUPAC Name: 3-(5-butyl-2-chloro-3H-pyrrol-3-yl)-4,5-dihydro-1,2-oxazole-5-carbonitrile Traditional Name: 3-(5-butyl-2-chloro-3H-pyrrol-3-yl)-2-isoxazoline-5-carbonitrile Formula: C12H14ClN3O MolecularWeight: 251.71206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(C(=N1)Cl)C2=NOC(C2)C#N

Isomeric SMILES

CCCCC1=CC(C(=N1)Cl)C2=NOC(C2)C#N

InChI

InChI=1S/C12H14ClN3O/c1-2-3-4-8-5-10(12(13)15-8)11-6-9(7-14)17-16-11/h5,9-10H,2-4,6H2,1H3