7-[5-chloranyl-2-(1-hydroxyethyl)-3-nitro-phenoxy]-N,N-bis(phenylmethyl)heptanamide

Systemtic Name: 7-[5-chloranyl-2-(1-hydroxyethyl)-3-nitro-phenoxy]-N,N-bis(phenylmethyl)heptanamide Openeye Name: N,N-dibenzyl-7-[5-chloro-2-(1-hydroxyethyl)-3-nitro-phenoxy]heptanamide CAS Name: 7-[5-chloro-2-(1-hydroxyethyl)-3-nitrophenoxy]-N,N-bis(phenylmethyl)heptanamide IUPAC Name: N,N-dibenzyl-7-[5-chloro-2-(1-hydroxyethyl)-3-nitrophenoxy]heptanamide Traditional Name: N,N-dibenzyl-7-[5-chloro-2-(1-hydroxyethyl)-3-nitro-phenoxy]enanthamide Formula: C29H33ClN2O5 MolecularWeight: 525.03572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1[N+](=O)[O-])Cl)OCCCCCCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)O

Isomeric SMILES

CC(C1=C(C=C(C=C1[N+](=O)[O-])Cl)OCCCCCCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)O

InChI

InChI=1S/C29H33ClN2O5/c1-22(33)29-26(32(35)36)18-25(30)19-27(29)37-17-11-3-2-10-16-28(34)31(20-23-12-6-4-7-13-23)21-24-14-8-5-9-15-24/h4-9,12-15,18-19,22,33H,2-3,10-11,16-17,20-21H2,1H3