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

Systemtic Name: 2-(4-methanoyl-2-methoxy-5-nitro-phenoxy)butanoic acid Openeye Name: 2-(4-formyl-2-methoxy-5-nitro-phenoxy)butanoic acid CAS Name: 2-(4-formyl-2-methoxy-5-nitrophenoxy)butanoic acid IUPAC Name: 2-(4-formyl-2-methoxy-5-nitrophenoxy)butanoic acid Traditional Name: 2-(4-formyl-2-methoxy-5-nitro-phenoxy)butyric acid Formula: C12H13NO7 MolecularWeight: 283.23412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=C(C=C(C(=C1)[N+](=O)[O-])C=O)OC

Isomeric SMILES

CCC(C(=O)O)OC1=C(C=C(C(=C1)[N+](=O)[O-])C=O)OC

InChI

InChI=1S/C12H13NO7/c1-3-9(12(15)16)20-11-5-8(13(17)18)7(6-14)4-10(11)19-2/h4-6,9H,3H2,1-2H3,(H,15,16)