4-[(E)-2-(1-methyl-5-nitro-imidazol-2-yl)ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-(1-methyl-5-nitro-imidazol-2-yl)ethenyl]benzoic acid Openeye Name: 4-[(E)-2-(1-methyl-5-nitro-imidazol-2-yl)vinyl]benzoic acid CAS Name: 4-[(E)-2-(1-methyl-5-nitro-2-imidazolyl)ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]benzoic acid Traditional Name: 4-[(E)-2-(1-methyl-5-nitro-imidazol-2-yl)vinyl]benzoic acid Formula: C13H11N3O4 MolecularWeight: 273.24414

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C=CC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1/C=C/C2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O4/c1-15-11(14-8-12(15)16(19)20)7-4-9-2-5-10(6-3-9)13(17)18/h2-8H,1H3,(H,17,18)/b7-4+