5-(4-chloranyl-2-methanoyl-3-nitro-phenoxy)pentanoic acid

Systemtic Name: 5-(4-chloranyl-2-methanoyl-3-nitro-phenoxy)pentanoic acid Openeye Name: 5-(4-chloro-2-formyl-3-nitro-phenoxy)pentanoic acid CAS Name: 5-(4-chloro-2-formyl-3-nitrophenoxy)pentanoic acid IUPAC Name: 5-(4-chloro-2-formyl-3-nitrophenoxy)pentanoic acid Traditional Name: 5-(4-chloro-2-formyl-3-nitro-phenoxy)valeric acid Formula: C12H12ClNO6 MolecularWeight: 301.67978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1OCCCCC(=O)O)C=O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C(=C1OCCCCC(=O)O)C=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H12ClNO6/c13-9-4-5-10(8(7-15)12(9)14(18)19)20-6-2-1-3-11(16)17/h4-5,7H,1-3,6H2,(H,16,17)