5-(2,3-dimethylbutanoylamino)-2-nitro-benzoic acid

Systemtic Name: 5-(2,3-dimethylbutanoylamino)-2-nitro-benzoic acid Openeye Name: 5-(2,3-dimethylbutanoylamino)-2-nitro-benzoic acid CAS Name: 5-[(2,3-dimethyl-1-oxobutyl)amino]-2-nitrobenzoic acid IUPAC Name: 5-(2,3-dimethylbutanoylamino)-2-nitrobenzoic acid Traditional Name: 5-(2,3-dimethylbutanoylamino)-2-nitro-benzoic acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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