4-(2-chloranyl-5-methanoyl-4-nitro-phenoxy)butanoic acid

Systemtic Name: 4-(2-chloranyl-5-methanoyl-4-nitro-phenoxy)butanoic acid Openeye Name: 4-(2-chloro-5-formyl-4-nitro-phenoxy)butanoic acid CAS Name: 4-(2-chloro-5-formyl-4-nitrophenoxy)butanoic acid IUPAC Name: 4-(2-chloro-5-formyl-4-nitrophenoxy)butanoic acid Traditional Name: 4-(2-chloro-5-formyl-4-nitro-phenoxy)butyric acid Formula: C11H10ClNO6 MolecularWeight: 287.6532

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1OCCCC(=O)O)Cl)[N+](=O)[O-])C=O

Isomeric SMILES

C1=C(C(=CC(=C1OCCCC(=O)O)Cl)[N+](=O)[O-])C=O

InChI

InChI=1S/C11H10ClNO6/c12-8-5-9(13(17)18)7(6-14)4-10(8)19-3-1-2-11(15)16/h4-6H,1-3H2,(H,15,16)