4-(2-methanoyl-4-methoxy-6-nitro-3-oxidanyl-phenyl)butanoic acid

Systemtic Name: 4-(2-methanoyl-4-methoxy-6-nitro-3-oxidanyl-phenyl)butanoic acid Openeye Name: 4-(2-formyl-3-hydroxy-4-methoxy-6-nitro-phenyl)butanoic acid CAS Name: 4-(2-formyl-3-hydroxy-4-methoxy-6-nitrophenyl)butanoic acid IUPAC Name: 4-(2-formyl-3-hydroxy-4-methoxy-6-nitrophenyl)butanoic acid Traditional Name: 4-(2-formyl-3-hydroxy-4-methoxy-6-nitro-phenyl)butyric acid Formula: C12H13NO7 MolecularWeight: 283.23412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO7/c1-20-10-5-9(13(18)19)7(3-2-4-11(15)16)8(6-14)12(10)17/h5-6,17H,2-4H2,1H3,(H,15,16)