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

Systemtic Name: 2-[(2-cyano-4-nitro-phenyl)amino]hexanoic acid Openeye Name: 2-(2-cyano-4-nitro-anilino)hexanoic acid CAS Name: 2-(2-cyano-4-nitroanilino)hexanoic acid IUPAC Name: 2-(2-cyano-4-nitroanilino)hexanoic acid Traditional Name: 2-(2-cyano-4-nitro-anilino)hexanoic acid Formula: C13H15N3O4 MolecularWeight: 277.2759

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O4/c1-2-3-4-12(13(17)18)15-11-6-5-10(16(19)20)7-9(11)8-14/h5-7,12,15H,2-4H2,1H3,(H,17,18)