6-[4-chloranyl-2-(1-hydroxyethyl)-3-nitro-phenoxy]-N-methyl-N-(phenylmethyl)hexanamide

Systemtic Name: 6-[4-chloranyl-2-(1-hydroxyethyl)-3-nitro-phenoxy]-N-methyl-N-(phenylmethyl)hexanamide Openeye Name: N-benzyl-6-[4-chloro-2-(1-hydroxyethyl)-3-nitro-phenoxy]-N-methyl-hexanamide CAS Name: 6-[4-chloro-2-(1-hydroxyethyl)-3-nitrophenoxy]-N-methyl-N-(phenylmethyl)hexanamide IUPAC Name: N-benzyl-6-[4-chloro-2-(1-hydroxyethyl)-3-nitrophenoxy]-N-methylhexanamide Traditional Name: N-benzyl-6-[4-chloro-2-(1-hydroxyethyl)-3-nitro-phenoxy]-N-methyl-hexanamide Formula: C22H27ClN2O5 MolecularWeight: 434.91318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1[N+](=O)[O-])Cl)OCCCCCC(=O)N(C)CC2=CC=CC=C2)O

Isomeric SMILES

CC(C1=C(C=CC(=C1[N+](=O)[O-])Cl)OCCCCCC(=O)N(C)CC2=CC=CC=C2)O

InChI

InChI=1S/C22H27ClN2O5/c1-16(26)21-19(13-12-18(23)22(21)25(28)29)30-14-8-4-7-11-20(27)24(2)15-17-9-5-3-6-10-17/h3,5-6,9-10,12-13,16,26H,4,7-8,11,14-15H2,1-2H3