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

Systemtic Name: 5-(2-chloranyl-4-methanoyl-5-nitro-phenoxy)pentanoic acid Openeye Name: 5-(2-chloro-4-formyl-5-nitro-phenoxy)pentanoic acid CAS Name: 5-(2-chloro-4-formyl-5-nitrophenoxy)pentanoic acid IUPAC Name: 5-(2-chloro-4-formyl-5-nitrophenoxy)pentanoic acid Traditional Name: 5-(2-chloro-4-formyl-5-nitro-phenoxy)valeric acid Formula: C12H12ClNO6 MolecularWeight: 301.67978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClNO6/c13-9-5-8(7-15)10(14(18)19)6-11(9)20-4-2-1-3-12(16)17/h5-7H,1-4H2,(H,16,17)