2-[(2-methyl-4-nitro-phenyl)amino]hexanoic acid

Systemtic Name: 2-[(2-methyl-4-nitro-phenyl)amino]hexanoic acid Openeye Name: 2-(2-methyl-4-nitro-anilino)hexanoic acid CAS Name: 2-(2-methyl-4-nitroanilino)hexanoic acid IUPAC Name: 2-(2-methyl-4-nitroanilino)hexanoic acid Traditional Name: 2-(2-methyl-4-nitro-anilino)hexanoic acid Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4/c1-3-4-5-12(13(16)17)14-11-7-6-10(15(18)19)8-9(11)2/h6-8,12,14H,3-5H2,1-2H3,(H,16,17)