7-[(2-cyano-4-nitro-phenyl)amino]heptanoic acid

Systemtic Name: 7-[(2-cyano-4-nitro-phenyl)amino]heptanoic acid Openeye Name: 7-(2-cyano-4-nitro-anilino)heptanoic acid CAS Name: 7-(2-cyano-4-nitroanilino)heptanoic acid IUPAC Name: 7-(2-cyano-4-nitroanilino)heptanoic acid Traditional Name: 7-(2-cyano-4-nitro-anilino)enanthic acid Formula: C14H17N3O4 MolecularWeight: 291.30248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O4/c15-10-11-9-12(17(20)21)6-7-13(11)16-8-4-2-1-3-5-14(18)19/h6-7,9,16H,1-5,8H2,(H,18,19)