3-(4,5-dimethoxy-2-nitro-phenyl)propanoic acid

Systemtic Name: 3-(4,5-dimethoxy-2-nitro-phenyl)propanoic acid Openeye Name: 3-(4,5-dimethoxy-2-nitro-phenyl)propanoic acid CAS Name: 3-(4,5-dimethoxy-2-nitrophenyl)propanoic acid IUPAC Name: 3-(4,5-dimethoxy-2-nitrophenyl)propanoic acid Traditional Name: 3-(4,5-dimethoxy-2-nitro-phenyl)propionic acid Formula: C11H13NO6 MolecularWeight: 255.22402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO6/c1-17-9-5-7(3-4-11(13)14)8(12(15)16)6-10(9)18-2/h5-6H,3-4H2,1-2H3,(H,13,14)