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

Systemtic Name: 6-[(2-cyano-4-nitro-phenyl)amino]hexanoic acid Openeye Name: 6-(2-cyano-4-nitro-anilino)hexanoic acid CAS Name: 6-(2-cyano-4-nitroanilino)hexanoic acid IUPAC Name: 6-(2-cyano-4-nitroanilino)hexanoic acid Traditional Name: 6-(2-cyano-4-nitro-anilino)hexanoic acid Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O4/c14-9-10-8-11(16(19)20)5-6-12(10)15-7-3-1-2-4-13(17)18/h5-6,8,15H,1-4,7H2,(H,17,18)