2-(4-methoxyphenyl)-2-(4-nitroimidazol-1-yl)propanoic acid

Systemtic Name: 2-(4-methoxyphenyl)-2-(4-nitroimidazol-1-yl)propanoic acid Openeye Name: 2-(4-methoxyphenyl)-2-(4-nitroimidazol-1-yl)propanoic acid CAS Name: 2-(4-methoxyphenyl)-2-(4-nitro-1-imidazolyl)propanoic acid IUPAC Name: 2-(4-methoxyphenyl)-2-(4-nitroimidazol-1-yl)propanoic acid Traditional Name: 2-(4-methoxyphenyl)-2-(4-nitroimidazol-1-yl)propionic acid Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC)(C(=O)O)N2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)OC)(C(=O)O)N2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5/c1-13(12(17)18,9-3-5-10(21-2)6-4-9)15-7-11(14-8-15)16(19)20/h3-8H,1-2H3,(H,17,18)