4-[2-(1-ethenyl-5-nitro-imidazol-2-yl)ethenyl]benzoic acid; sodium

Systemtic Name: 4-[2-(1-ethenyl-5-nitro-imidazol-2-yl)ethenyl]benzoic acid; sodium Openeye Name: 4-[2-(5-nitro-1-vinyl-imidazol-2-yl)vinyl]benzoic acid; sodium CAS Name: 4-[2-(1-ethenyl-5-nitro-2-imidazolyl)ethenyl]benzoic acid; sodium IUPAC Name: 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoic acid; sodium Traditional Name: 4-[2-(5-nitro-1-vinyl-imidazol-2-yl)vinyl]benzoic acid; sodium Formula: C14H11N3NaO4 MolecularWeight: 308.24461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O4.Na/c1-2-16-12(15-9-13(16)17(20)21)8-5-10-3-6-11(7-4-10)14(18)19;/h2-9H,1H2,(H,18,19);