4-(3-imidazol-1-ylphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(3-imidazol-1-ylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-imidazol-1-ylphenyl)-4-oxo-butanoic acid CAS Name: 4-[3-(1-imidazolyl)phenyl]-4-oxobutanoic acid IUPAC Name: 4-(3-imidazol-1-ylphenyl)-4-oxobutanoic acid Traditional Name: 4-(3-imidazol-1-ylphenyl)-4-keto-butyric acid Formula: C13H12N2O3 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O3/c16-12(4-5-13(17)18)10-2-1-3-11(8-10)15-7-6-14-9-15/h1-3,6-9H,4-5H2,(H,17,18)