2-[4,5-dimethyl-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-imidazol-3-yl]ethanoic acid

Systemtic Name: 2-[4,5-dimethyl-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-imidazol-3-yl]ethanoic acid Openeye Name: 2-[4,5-dimethyl-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-imidazol-3-yl]acetic acid CAS Name: 2-[4,5-dimethyl-2-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-imidazol-3-yl]acetic acid IUPAC Name: 2-[4,5-dimethyl-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-imidazol-3-yl]acetic acid Traditional Name: 2-[2-(4-ketocyclohexa-2,5-dien-1-ylidene)-4,5-dimethyl-4-imidazolin-1-yl]acetic acid Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C2C=CC(=O)C=C2)N1)CC(=O)O)C

Isomeric SMILES

CC1=C(N(C(=C2C=CC(=O)C=C2)N1)CC(=O)O)C

InChI

InChI=1S/C13H14N2O3/c1-8-9(2)15(7-12(17)18)13(14-8)10-3-5-11(16)6-4-10/h3-6,14H,7H2,1-2H3,(H,17,18)