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

Systemtic Name: 4-[(2-cyano-4-nitro-phenyl)amino]butanoic acid Openeye Name: 4-(2-cyano-4-nitro-anilino)butanoic acid CAS Name: 4-(2-cyano-4-nitroanilino)butanoic acid IUPAC Name: 4-(2-cyano-4-nitroanilino)butanoic acid Traditional Name: 4-(2-cyano-4-nitro-anilino)butyric acid Formula: C11H11N3O4 MolecularWeight: 249.22274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O4/c12-7-8-6-9(14(17)18)3-4-10(8)13-5-1-2-11(15)16/h3-4,6,13H,1-2,5H2,(H,15,16)