3-nitro-4-(nonadecan-2-ylamino)benzoic acid

Systemtic Name: 3-nitro-4-(nonadecan-2-ylamino)benzoic acid Openeye Name: 4-(1-methyloctadecylamino)-3-nitro-benzoic acid CAS Name: 3-nitro-4-(nonadecan-2-ylamino)benzoic acid IUPAC Name: 3-nitro-4-(nonadecan-2-ylamino)benzoic acid Traditional Name: 4-(1-methyloctadecylamino)-3-nitro-benzoic acid Formula: C26H44N2O4 MolecularWeight: 448.63856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C)NC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C)NC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

InChI

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