4-methyl-2-(2-methyltetradecylamino)-5-nitro-benzoic acid

Systemtic Name: 4-methyl-2-(2-methyltetradecylamino)-5-nitro-benzoic acid Openeye Name: 4-methyl-2-(2-methyltetradecylamino)-5-nitro-benzoic acid CAS Name: 4-methyl-2-(2-methyltetradecylamino)-5-nitrobenzoic acid IUPAC Name: 4-methyl-2-(2-methyltetradecylamino)-5-nitrobenzoic acid Traditional Name: 4-methyl-2-(2-methyltetradecylamino)-5-nitro-benzoic acid Formula: C23H38N2O4 MolecularWeight: 406.55882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C)CNC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCCCCCCC(C)CNC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C

InChI

InChI=1S/C23H38N2O4/c1-4-5-6-7-8-9-10-11-12-13-14-18(2)17-24-21-15-19(3)22(25(28)29)16-20(21)23(26)27/h15-16,18,24H,4-14,17H2,1-3H3,(H,26,27)