6-[(2-methyl-4-nitro-phenyl)amino]hexanoic acid

Systemtic Name: 6-[(2-methyl-4-nitro-phenyl)amino]hexanoic acid Openeye Name: 6-(2-methyl-4-nitro-anilino)hexanoic acid CAS Name: 6-(2-methyl-4-nitroanilino)hexanoic acid IUPAC Name: 6-(2-methyl-4-nitroanilino)hexanoic acid Traditional Name: 6-(2-methyl-4-nitro-anilino)hexanoic acid Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NCCCCCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NCCCCCC(=O)O

InChI

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