3-[(2-cyano-4-nitro-phenyl)amino]butanoic acid

Systemtic Name: 3-[(2-cyano-4-nitro-phenyl)amino]butanoic acid Openeye Name: 3-(2-cyano-4-nitro-anilino)butanoic acid CAS Name: 3-(2-cyano-4-nitroanilino)butanoic acid IUPAC Name: 3-(2-cyano-4-nitroanilino)butanoic acid Traditional Name: 3-(2-cyano-4-nitro-anilino)butyric acid Formula: C11H11N3O4 MolecularWeight: 249.22274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O4/c1-7(4-11(15)16)13-10-3-2-9(14(17)18)5-8(10)6-12/h2-3,5,7,13H,4H2,1H3,(H,15,16)