3-(4-acetamido-3-nitro-phenyl)-3-methyl-butanoic acid

Systemtic Name: 3-(4-acetamido-3-nitro-phenyl)-3-methyl-butanoic acid Openeye Name: 3-(4-acetamido-3-nitro-phenyl)-3-methyl-butanoic acid CAS Name: 3-(4-acetamido-3-nitrophenyl)-3-methylbutanoic acid IUPAC Name: 3-(4-acetamido-3-nitrophenyl)-3-methylbutanoic acid Traditional Name: 3-(4-acetamido-3-nitro-phenyl)-3-methyl-butyric acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-8(16)14-10-5-4-9(6-11(10)15(19)20)13(2,3)7-12(17)18/h4-6H,7H2,1-3H3,(H,14,16)(H,17,18)