4-[(5-ethyl-2-oxidanylidene-1,3-dihydroimidazol-4-yl)carbonyl]benzoic acid

Systemtic Name: 4-[(5-ethyl-2-oxidanylidene-1,3-dihydroimidazol-4-yl)carbonyl]benzoic acid Openeye Name: 4-(5-ethyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)benzoic acid CAS Name: 4-[(5-ethyl-2-oxo-1,3-dihydroimidazol-4-yl)-oxomethyl]benzoic acid IUPAC Name: 4-(5-ethyl-2-oxo-1,3-dihydroimidazole-4-carbonyl)benzoic acid Traditional Name: 4-(5-ethyl-2-keto-4-imidazoline-4-carbonyl)benzoic acid Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=O)N1)C(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCC1=C(NC(=O)N1)C(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H12N2O4/c1-2-9-10(15-13(19)14-9)11(16)7-3-5-8(6-4-7)12(17)18/h3-6H,2H2,1H3,(H,17,18)(H2,14,15,19)