7-(5-chloranyl-2-ethanoyl-3-nitro-phenoxy)-N,N-bis(phenylmethyl)heptanamide

Systemtic Name: 7-(5-chloranyl-2-ethanoyl-3-nitro-phenoxy)-N,N-bis(phenylmethyl)heptanamide Openeye Name: 7-(2-acetyl-5-chloro-3-nitro-phenoxy)-N,N-dibenzyl-heptanamide CAS Name: 7-(2-acetyl-5-chloro-3-nitrophenoxy)-N,N-bis(phenylmethyl)heptanamide IUPAC Name: 7-(2-acetyl-5-chloro-3-nitrophenoxy)-N,N-dibenzylheptanamide Traditional Name: 7-(2-acetyl-5-chloro-3-nitro-phenoxy)-N,N-dibenzyl-enanthamide Formula: C29H31ClN2O5 MolecularWeight: 523.01984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31ClN2O5/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/h4-9,12-15,18-19H,2-3,10-11,16-17,20-21H2,1H3