2-azanyl-6-(3-chloranyl-2-oxidanyl-propoxy)-3-(2-ethylhexanoyl)benzenecarbonitrile

Systemtic Name: 2-azanyl-6-(3-chloranyl-2-oxidanyl-propoxy)-3-(2-ethylhexanoyl)benzenecarbonitrile Openeye Name: 2-amino-6-(3-chloro-2-hydroxy-propoxy)-3-(2-ethylhexanoyl)benzonitrile CAS Name: 2-amino-6-(3-chloro-2-hydroxypropoxy)-3-(2-ethyl-1-oxohexyl)benzonitrile IUPAC Name: 2-amino-6-(3-chloro-2-hydroxypropoxy)-3-(2-ethylhexanoyl)benzonitrile Traditional Name: 2-amino-6-(3-chloro-2-hydroxy-propoxy)-3-(2-ethylhexanoyl)benzonitrile Formula: C18H25ClN2O3 MolecularWeight: 352.8557

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)C1=C(C(=C(C=C1)OCC(CCl)O)C#N)N

Isomeric SMILES

CCCCC(CC)C(=O)C1=C(C(=C(C=C1)OCC(CCl)O)C#N)N

InChI

InChI=1S/C18H25ClN2O3/c1-3-5-6-12(4-2)18(23)14-7-8-16(15(10-20)17(14)21)24-11-13(22)9-19/h7-8,12-13,22H,3-6,9,11,21H2,1-2H3