4-[methyl(octadecyl)amino]-3-nitro-benzoic acid

Systemtic Name: 4-[methyl(octadecyl)amino]-3-nitro-benzoic acid Openeye Name: 4-[methyl(octadecyl)amino]-3-nitro-benzoic acid CAS Name: 4-[methyl(octadecyl)amino]-3-nitrobenzoic acid IUPAC Name: 4-[methyl(octadecyl)amino]-3-nitrobenzoic acid Traditional Name: 4-[methyl(stearyl)amino]-3-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)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)C(=O)O)[N+](=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)24-20-19-23(26(29)30)22-25(24)28(31)32/h19-20,22H,3-18,21H2,1-2H3,(H,29,30)