[2-[(5-chloranyl-2-nitro-phenyl)methyl]-3-oxidanyl-propyl] hexanoate

Systemtic Name: [2-[(5-chloranyl-2-nitro-phenyl)methyl]-3-oxidanyl-propyl] hexanoate Openeye Name: [2-[(5-chloro-2-nitro-phenyl)methyl]-3-hydroxy-propyl] hexanoate CAS Name: hexanoic acid [2-[(5-chloro-2-nitrophenyl)methyl]-3-hydroxypropyl] ester IUPAC Name: [2-[(5-chloro-2-nitrophenyl)methyl]-3-hydroxypropyl] hexanoate Traditional Name: hexanoic acid [2-(5-chloro-2-nitro-benzyl)-3-hydroxy-propyl] ester Formula: C16H22ClNO5 MolecularWeight: 343.80258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC(CC1=C(C=CC(=C1)Cl)[N+](=O)[O-])CO

Isomeric SMILES

CCCCCC(=O)OCC(CC1=C(C=CC(=C1)Cl)[N+](=O)[O-])CO

InChI

InChI=1S/C16H22ClNO5/c1-2-3-4-5-16(20)23-11-12(10-19)8-13-9-14(17)6-7-15(13)18(21)22/h6-7,9,12,19H,2-5,8,10-11H2,1H3