2-(2-chloranyl-6-ethyl-3-nitro-phenyl)butanoic acid

Systemtic Name: 2-(2-chloranyl-6-ethyl-3-nitro-phenyl)butanoic acid Openeye Name: 2-(2-chloro-6-ethyl-3-nitro-phenyl)butanoic acid CAS Name: 2-(2-chloro-6-ethyl-3-nitrophenyl)butanoic acid IUPAC Name: 2-(2-chloro-6-ethyl-3-nitrophenyl)butanoic acid Traditional Name: 2-(2-chloro-6-ethyl-3-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)[N+](=O)[O-])Cl)C(CC)C(=O)O

Isomeric SMILES

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

InChI

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