azane; 2-(3-chloranyl-2-oxidanyl-propoxy)-3-pentanoyl-benzenecarbonitrile

Systemtic Name: azane; 2-(3-chloranyl-2-oxidanyl-propoxy)-3-pentanoyl-benzenecarbonitrile Openeye Name: ammonia; 2-(3-chloro-2-hydroxy-propoxy)-3-pentanoyl-benzonitrile CAS Name: ammonia; 2-(3-chloro-2-hydroxypropoxy)-3-(1-oxopentyl)benzonitrile IUPAC Name: azane; 2-(3-chloro-2-hydroxypropoxy)-3-pentanoylbenzonitrile Traditional Name: ammonia; 2-(3-chloro-2-hydroxy-propoxy)-3-valeryl-benzonitrile Formula: C15H21ClN2O3 MolecularWeight: 312.79184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=CC=CC(=C1OCC(CCl)O)C#N.N

Isomeric SMILES

CCCCC(=O)C1=CC=CC(=C1OCC(CCl)O)C#N.N

InChI

InChI=1S/C15H18ClNO3.H3N/c1-2-3-7-14(19)13-6-4-5-11(9-17)15(13)20-10-12(18)8-16;/h4-6,12,18H,2-3,7-8,10H2,1H3;1H3