4-[(4,5-dimethyl-2-nitro-phenyl)amino]butanoic acid

Systemtic Name: 4-[(4,5-dimethyl-2-nitro-phenyl)amino]butanoic acid Openeye Name: 4-(4,5-dimethyl-2-nitro-anilino)butanoic acid CAS Name: 4-(4,5-dimethyl-2-nitroanilino)butanoic acid IUPAC Name: 4-(4,5-dimethyl-2-nitroanilino)butanoic acid Traditional Name: 4-(4,5-dimethyl-2-nitro-anilino)butyric acid Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NCCCC(=O)O

InChI

InChI=1S/C12H16N2O4/c1-8-6-10(13-5-3-4-12(15)16)11(14(17)18)7-9(8)2/h6-7,13H,3-5H2,1-2H3,(H,15,16)