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

Systemtic Name: 6-(6-chloranyl-2-methanoyl-3-nitro-phenoxy)-N,N-bis(phenylmethyl)hexanamide Openeye Name: N,N-dibenzyl-6-(6-chloro-2-formyl-3-nitro-phenoxy)hexanamide CAS Name: 6-(6-chloro-2-formyl-3-nitrophenoxy)-N,N-bis(phenylmethyl)hexanamide IUPAC Name: N,N-dibenzyl-6-(6-chloro-2-formyl-3-nitrophenoxy)hexanamide Traditional Name: N,N-dibenzyl-6-(6-chloro-2-formyl-3-nitro-phenoxy)hexanamide Formula: C27H27ClN2O5 MolecularWeight: 494.96668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CCCCCOC3=C(C=CC(=C3C=O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CCCCCOC3=C(C=CC(=C3C=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C27H27ClN2O5/c28-24-15-16-25(30(33)34)23(20-31)27(24)35-17-9-3-8-14-26(32)29(18-21-10-4-1-5-11-21)19-22-12-6-2-7-13-22/h1-2,4-7,10-13,15-16,20H,3,8-9,14,17-19H2