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2-[(3-methyl-4-nitro-phenyl)amino]hexanoic acid

2-[(3-methyl-4-nitro-phenyl)amino]hexanoic acid

Systemtic Name:2-[(3-methyl-4-nitro-phenyl)amino]hexanoic acid
Openeye Name:2-(3-methyl-4-nitro-anilino)hexanoic acid
CAS Name:2-(3-methyl-4-nitroanilino)hexanoic acid
IUPAC Name:2-(3-methyl-4-nitroanilino)hexanoic acid
Traditional Name:2-(3-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=CC(=C(C=C1)[N+](=O)[O-])C


Isomeric SMILES

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


InChI

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


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