3-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]pentanenitrile

Systemtic Name: 3-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]pentanenitrile Openeye Name: 3-(4-chloro-2-methoxy-5-methyl-anilino)pentanenitrile CAS Name: 3-(4-chloro-2-methoxy-5-methylanilino)pentanenitrile IUPAC Name: 3-(4-chloro-2-methoxy-5-methylanilino)pentanenitrile Traditional Name: 3-(4-chloro-2-methoxy-5-methyl-anilino)valeronitrile Formula: C13H17ClN2O MolecularWeight: 252.73988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)NC1=C(C=C(C(=C1)C)Cl)OC

Isomeric SMILES

CCC(CC#N)NC1=C(C=C(C(=C1)C)Cl)OC

InChI

InChI=1S/C13H17ClN2O/c1-4-10(5-6-15)16-12-7-9(2)11(14)8-13(12)17-3/h7-8,10,16H,4-5H2,1-3H3