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

Systemtic Name: 4-[(2,4-dimethyl-5-nitro-phenyl)-methyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-oxo-4-(N,2,4-trimethyl-5-nitro-anilino)butanoic acid CAS Name: 4-oxo-4-(N,2,4-trimethyl-5-nitroanilino)butanoic acid IUPAC Name: 4-oxo-4-(N,2,4-trimethyl-5-nitroanilino)butanoic acid Traditional Name: 4-keto-4-(N,2,4-trimethyl-5-nitro-anilino)butyric acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N(C)C(=O)CCC(=O)O)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1N(C)C(=O)CCC(=O)O)[N+](=O)[O-])C

InChI

InChI=1S/C13H16N2O5/c1-8-6-9(2)11(15(19)20)7-10(8)14(3)12(16)4-5-13(17)18/h6-7H,4-5H2,1-3H3,(H,17,18)