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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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