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

Systemtic Name: 2-(2-chloranyl-4-ethyl-5-nitro-phenyl)butanoic acid Openeye Name: 2-(2-chloro-4-ethyl-5-nitro-phenyl)butanoic acid CAS Name: 2-(2-chloro-4-ethyl-5-nitrophenyl)butanoic acid IUPAC Name: 2-(2-chloro-4-ethyl-5-nitrophenyl)butanoic acid Traditional Name: 2-(2-chloro-4-ethyl-5-nitro-phenyl)butyric acid Formula: C12H14ClNO4 MolecularWeight: 271.69686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)Cl)C(CC)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C(=C1)Cl)C(CC)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H14ClNO4/c1-3-7-5-10(13)9(6-11(7)14(17)18)8(4-2)12(15)16/h5-6,8H,3-4H2,1-2H3,(H,15,16)