3-[4-methoxy-2-(5-nitro-1H-imidazol-2-yl)phenyl]propanoic acid

Systemtic Name: 3-[4-methoxy-2-(5-nitro-1H-imidazol-2-yl)phenyl]propanoic acid Openeye Name: 3-[4-methoxy-2-(5-nitro-1H-imidazol-2-yl)phenyl]propanoic acid CAS Name: 3-[4-methoxy-2-(5-nitro-1H-imidazol-2-yl)phenyl]propanoic acid IUPAC Name: 3-[4-methoxy-2-(5-nitro-1H-imidazol-2-yl)phenyl]propanoic acid Traditional Name: 3-[4-methoxy-2-(5-nitro-1H-imidazol-2-yl)phenyl]propionic acid Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CCC(=O)O)C2=NC=C(N2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)CCC(=O)O)C2=NC=C(N2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5/c1-21-9-4-2-8(3-5-12(17)18)10(6-9)13-14-7-11(15-13)16(19)20/h2,4,6-7H,3,5H2,1H3,(H,14,15)(H,17,18)