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

Systemtic Name: 2-(2-chloranyl-6-ethyl-3-nitro-phenyl)propanoic acid Openeye Name: 2-(2-chloro-6-ethyl-3-nitro-phenyl)propanoic acid CAS Name: 2-(2-chloro-6-ethyl-3-nitrophenyl)propanoic acid IUPAC Name: 2-(2-chloro-6-ethyl-3-nitrophenyl)propanoic acid Traditional Name: 2-(2-chloro-6-ethyl-3-nitro-phenyl)propionic acid Formula: C11H12ClNO4 MolecularWeight: 257.67028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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