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

Systemtic Name: 5-(4-methanoyl-2-methoxy-5-nitro-phenoxy)pentanoic acid Openeye Name: 5-(4-formyl-2-methoxy-5-nitro-phenoxy)pentanoic acid CAS Name: 5-(4-formyl-2-methoxy-5-nitrophenoxy)pentanoic acid IUPAC Name: 5-(4-formyl-2-methoxy-5-nitrophenoxy)pentanoic acid Traditional Name: 5-(4-formyl-2-methoxy-5-nitro-phenoxy)valeric acid Formula: C13H15NO7 MolecularWeight: 297.2607

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=O)[N+](=O)[O-])OCCCCC(=O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)C=O)[N+](=O)[O-])OCCCCC(=O)O

InChI

InChI=1S/C13H15NO7/c1-20-11-6-9(8-15)10(14(18)19)7-12(11)21-5-3-2-4-13(16)17/h6-8H,2-5H2,1H3,(H,16,17)