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

Systemtic Name: 5-(3-methanoyl-4-nitro-phenoxy)pentanoic acid Openeye Name: 5-(3-formyl-4-nitro-phenoxy)pentanoic acid CAS Name: 5-(3-formyl-4-nitrophenoxy)pentanoic acid IUPAC Name: 5-(3-formyl-4-nitrophenoxy)pentanoic acid Traditional Name: 5-(3-formyl-4-nitro-phenoxy)valeric acid Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO6/c14-8-9-7-10(4-5-11(9)13(17)18)19-6-2-1-3-12(15)16/h4-5,7-8H,1-3,6H2,(H,15,16)