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

Systemtic Name: 2-[methanoyl-(4-methyl-3-nitro-phenyl)amino]-3-methyl-butanoic acid Openeye Name: 2-(N-formyl-4-methyl-3-nitro-anilino)-3-methyl-butanoic acid CAS Name: 2-(N-formyl-4-methyl-3-nitroanilino)-3-methylbutanoic acid IUPAC Name: 2-(N-formyl-4-methyl-3-nitroanilino)-3-methylbutanoic acid Traditional Name: 2-(N-formyl-4-methyl-3-nitro-anilino)-3-methyl-butyric acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-8(2)12(13(17)18)14(7-16)10-5-4-9(3)11(6-10)15(19)20/h4-8,12H,1-3H3,(H,17,18)