2-[2-(4-imidazol-1-ylphenyl)-2-oxidanylidene-ethyl]propanedioic acid

Systemtic Name: 2-[2-(4-imidazol-1-ylphenyl)-2-oxidanylidene-ethyl]propanedioic acid Openeye Name: 2-[2-(4-imidazol-1-ylphenyl)-2-oxo-ethyl]propanedioic acid CAS Name: 2-[2-[4-(1-imidazolyl)phenyl]-2-oxoethyl]propanedioic acid IUPAC Name: 2-[2-(4-imidazol-1-ylphenyl)-2-oxoethyl]propanedioic acid Traditional Name: 2-[2-(4-imidazol-1-ylphenyl)-2-keto-ethyl]malonic acid Formula: C14H12N2O5 MolecularWeight: 288.25548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CC(C(=O)O)C(=O)O)N2C=CN=C2

Isomeric SMILES

C1=CC(=CC=C1C(=O)CC(C(=O)O)C(=O)O)N2C=CN=C2

InChI

InChI=1S/C14H12N2O5/c17-12(7-11(13(18)19)14(20)21)9-1-3-10(4-2-9)16-6-5-15-8-16/h1-6,8,11H,7H2,(H,18,19)(H,20,21)