2-[methyl(octadecyl)amino]-5-nitro-benzoic acid

Systemtic Name: 2-[methyl(octadecyl)amino]-5-nitro-benzoic acid Openeye Name: 2-[methyl(octadecyl)amino]-5-nitro-benzoic acid CAS Name: 2-[methyl(octadecyl)amino]-5-nitrobenzoic acid IUPAC Name: 2-[methyl(octadecyl)amino]-5-nitrobenzoic acid Traditional Name: 2-[methyl(stearyl)amino]-5-nitro-benzoic acid Formula: C26H44N2O4 MolecularWeight: 448.63856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C26H44N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27(2)25-20-19-23(28(31)32)22-24(25)26(29)30/h19-20,22H,3-18,21H2,1-2H3,(H,29,30)