4-[[2-[[dodecyl(ethanoyl)amino]methyl]-4-nitro-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-[[dodecyl(ethanoyl)amino]methyl]-4-nitro-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[[acetyl(dodecyl)amino]methyl]-4-nitro-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[[acetyl(dodecyl)amino]methyl]-4-nitrophenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[[acetyl(dodecyl)amino]methyl]-4-nitrophenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[[acetyl(lauryl)amino]methyl]-4-nitro-phenoxy]methyl]benzoic acid Formula: C29H40N2O6 MolecularWeight: 512.6377

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CC1=C(C=CC(=C1)[N+](=O)[O-])OCC2=CC=C(C=C2)C(=O)O)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCN(CC1=C(C=CC(=C1)[N+](=O)[O-])OCC2=CC=C(C=C2)C(=O)O)C(=O)C

InChI

InChI=1S/C29H40N2O6/c1-3-4-5-6-7-8-9-10-11-12-19-30(23(2)32)21-26-20-27(31(35)36)17-18-28(26)37-22-24-13-15-25(16-14-24)29(33)34/h13-18,20H,3-12,19,21-22H2,1-2H3,(H,33,34)