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

Systemtic Name: 5-(3-methanoyl-2-nitro-phenoxy)pentanoic acid Openeye Name: 5-(3-formyl-2-nitro-phenoxy)pentanoic acid CAS Name: 5-(3-formyl-2-nitrophenoxy)pentanoic acid IUPAC Name: 5-(3-formyl-2-nitrophenoxy)pentanoic acid Traditional Name: 5-(3-formyl-2-nitro-phenoxy)valeric acid Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO6/c14-8-9-4-3-5-10(12(9)13(17)18)19-7-2-1-6-11(15)16/h3-5,8H,1-2,6-7H2,(H,15,16)