N-(3-acetamidophenyl)-2-(2,4-dipentylphenoxy)-5-nitro-benzamide

Systemtic Name: N-(3-acetamidophenyl)-2-(2,4-dipentylphenoxy)-5-nitro-benzamide Openeye Name: N-(3-acetamidophenyl)-2-(2,4-dipentylphenoxy)-5-nitro-benzamide CAS Name: N-(3-acetamidophenyl)-2-(2,4-dipentylphenoxy)-5-nitrobenzamide IUPAC Name: N-(3-acetamidophenyl)-2-(2,4-dipentylphenoxy)-5-nitrobenzamide Traditional Name: N-(3-acetamidophenyl)-2-(2,4-diamylphenoxy)-5-nitro-benzamide Formula: C31H37N3O5 MolecularWeight: 531.64258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)NC(=O)C)CCCCC

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)NC(=O)C)CCCCC

InChI

InChI=1S/C31H37N3O5/c1-4-6-8-11-23-15-17-29(24(19-23)12-9-7-5-2)39-30-18-16-27(34(37)38)21-28(30)31(36)33-26-14-10-13-25(20-26)32-22(3)35/h10,13-21H,4-9,11-12H2,1-3H3,(H,32,35)(H,33,36)