6-(6-chloranyl-2-ethanoyl-3-nitro-phenoxy)-N,N-bis(phenylmethyl)hexanamide

Systemtic Name: 6-(6-chloranyl-2-ethanoyl-3-nitro-phenoxy)-N,N-bis(phenylmethyl)hexanamide Openeye Name: 6-(2-acetyl-6-chloro-3-nitro-phenoxy)-N,N-dibenzyl-hexanamide CAS Name: 6-(2-acetyl-6-chloro-3-nitrophenoxy)-N,N-bis(phenylmethyl)hexanamide IUPAC Name: 6-(2-acetyl-6-chloro-3-nitrophenoxy)-N,N-dibenzylhexanamide Traditional Name: 6-(2-acetyl-6-chloro-3-nitro-phenoxy)-N,N-dibenzyl-hexanamide Formula: C28H29ClN2O5 MolecularWeight: 508.99326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29ClN2O5/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/h2-3,5-8,11-14,16-17H,4,9-10,15,18-20H2,1H3