6-[6-chloranyl-2-(1-hydroxyethyl)-3-nitro-phenoxy]-N,N-bis(phenylmethyl)hexanamide

Systemtic Name: 6-[6-chloranyl-2-(1-hydroxyethyl)-3-nitro-phenoxy]-N,N-bis(phenylmethyl)hexanamide Openeye Name: N,N-dibenzyl-6-[6-chloro-2-(1-hydroxyethyl)-3-nitro-phenoxy]hexanamide CAS Name: 6-[6-chloro-2-(1-hydroxyethyl)-3-nitrophenoxy]-N,N-bis(phenylmethyl)hexanamide IUPAC Name: N,N-dibenzyl-6-[6-chloro-2-(1-hydroxyethyl)-3-nitrophenoxy]hexanamide Traditional Name: N,N-dibenzyl-6-[6-chloro-2-(1-hydroxyethyl)-3-nitro-phenoxy]hexanamide Formula: C28H31ClN2O5 MolecularWeight: 511.00914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1OCCCCCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)Cl)[N+](=O)[O-])O

Isomeric SMILES

CC(C1=C(C=CC(=C1OCCCCCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)Cl)[N+](=O)[O-])O

InChI

InChI=1S/C28H31ClN2O5/c1-21(32)27-25(31(34)35)17-16-24(29)28(27)36-18-10-4-9-15-26(33)30(19-22-11-5-2-6-12-22)20-23-13-7-3-8-14-23/h2-3,5-8,11-14,16-17,21,32H,4,9-10,15,18-20H2,1H3