4-(4-methanoyl-2-methoxy-3,5-dinitro-phenoxy)butanoic acid

Systemtic Name: 4-(4-methanoyl-2-methoxy-3,5-dinitro-phenoxy)butanoic acid Openeye Name: 4-(4-formyl-2-methoxy-3,5-dinitro-phenoxy)butanoic acid CAS Name: 4-(4-formyl-2-methoxy-3,5-dinitrophenoxy)butanoic acid IUPAC Name: 4-(4-formyl-2-methoxy-3,5-dinitrophenoxy)butanoic acid Traditional Name: 4-(4-formyl-2-methoxy-3,5-dinitro-phenoxy)butyric acid Formula: C12H12N2O9 MolecularWeight: 328.23168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O9/c1-22-12-9(23-4-2-3-10(16)17)5-8(13(18)19)7(6-15)11(12)14(20)21/h5-6H,2-4H2,1H3,(H,16,17)