2-(4-methyl-3-nitro-phenyl)butanoic acid

Systemtic Name: 2-(4-methyl-3-nitro-phenyl)butanoic acid Openeye Name: 2-(4-methyl-3-nitro-phenyl)butanoic acid CAS Name: 2-(4-methyl-3-nitrophenyl)butanoic acid IUPAC Name: 2-(4-methyl-3-nitrophenyl)butanoic acid Traditional Name: 2-(4-methyl-3-nitro-phenyl)butyric acid Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4/c1-3-9(11(13)14)8-5-4-7(2)10(6-8)12(15)16/h4-6,9H,3H2,1-2H3,(H,13,14)