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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N(C)CCCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N(C)CCCC(=O)O

InChI

InChI=1S/C12H16N2O4/c1-9-8-10(14(17)18)5-6-11(9)13(2)7-3-4-12(15)16/h5-6,8H,3-4,7H2,1-2H3,(H,15,16)