3-(3,3-dimethyl-1-oxidanylidene-4H-isochromen-4-yl)imidazole-4-carboxylic acid

Systemtic Name: 3-(3,3-dimethyl-1-oxidanylidene-4H-isochromen-4-yl)imidazole-4-carboxylic acid Openeye Name: 3-(3,3-dimethyl-1-oxo-isochroman-4-yl)imidazole-4-carboxylic acid CAS Name: 3-(3,3-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-4-yl)-4-imidazolecarboxylic acid IUPAC Name: 3-(3,3-dimethyl-1-oxo-4H-isochromen-4-yl)imidazole-4-carboxylic acid Traditional Name: 3-(1-keto-3,3-dimethyl-isochroman-4-yl)imidazole-4-carboxylic acid Formula: C15H14N2O4 MolecularWeight: 286.28266

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C2=CC=CC=C2C(=O)O1)N3C=NC=C3C(=O)O)C

Isomeric SMILES

CC1(C(C2=CC=CC=C2C(=O)O1)N3C=NC=C3C(=O)O)C

InChI

InChI=1S/C15H14N2O4/c1-15(2)12(17-8-16-7-11(17)13(18)19)9-5-3-4-6-10(9)14(20)21-15/h3-8,12H,1-2H3,(H,18,19)