6-(4-chloranyl-2-ethanoyl-3-nitro-phenoxy)-N-methyl-N-(phenylmethyl)hexanamide

Systemtic Name: 6-(4-chloranyl-2-ethanoyl-3-nitro-phenoxy)-N-methyl-N-(phenylmethyl)hexanamide Openeye Name: 6-(2-acetyl-4-chloro-3-nitro-phenoxy)-N-benzyl-N-methyl-hexanamide CAS Name: 6-(2-acetyl-4-chloro-3-nitrophenoxy)-N-methyl-N-(phenylmethyl)hexanamide IUPAC Name: 6-(2-acetyl-4-chloro-3-nitrophenoxy)-N-benzyl-N-methylhexanamide Traditional Name: 6-(2-acetyl-4-chloro-3-nitro-phenoxy)-N-benzyl-N-methyl-hexanamide Formula: C22H25ClN2O5 MolecularWeight: 432.8973

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O5/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/h3,5-6,9-10,12-13H,4,7-8,11,14-15H2,1-2H3