2-(2-chloranyl-4-methyl-5-nitro-phenyl)butanoic acid

Systemtic Name: 2-(2-chloranyl-4-methyl-5-nitro-phenyl)butanoic acid Openeye Name: 2-(2-chloro-4-methyl-5-nitro-phenyl)butanoic acid CAS Name: 2-(2-chloro-4-methyl-5-nitrophenyl)butanoic acid IUPAC Name: 2-(2-chloro-4-methyl-5-nitrophenyl)butanoic acid Traditional Name: 2-(2-chloro-4-methyl-5-nitro-phenyl)butyric acid Formula: C11H12ClNO4 MolecularWeight: 257.67028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=C(C=C1Cl)C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC(C1=CC(=C(C=C1Cl)C)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H12ClNO4/c1-3-7(11(14)15)8-5-10(13(16)17)6(2)4-9(8)12/h4-5,7H,3H2,1-2H3,(H,14,15)