8-bromanyl-3-imidazol-1-yl-2-methyl-4-oxidanylidene-2,3-dihydrochromene-6-carboxylic acid

Systemtic Name: 8-bromanyl-3-imidazol-1-yl-2-methyl-4-oxidanylidene-2,3-dihydrochromene-6-carboxylic acid Openeye Name: 8-bromo-3-imidazol-1-yl-2-methyl-4-oxo-chromane-6-carboxylic acid CAS Name: 8-bromo-3-(1-imidazolyl)-2-methyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid IUPAC Name: 8-bromo-3-imidazol-1-yl-2-methyl-4-oxo-2,3-dihydrochromene-6-carboxylic acid Traditional Name: 8-bromo-3-imidazol-1-yl-4-keto-2-methyl-chroman-6-carboxylic acid Formula: C14H11BrN2O4 MolecularWeight: 351.15214

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)C2=CC(=CC(=C2O1)Br)C(=O)O)N3C=CN=C3

Isomeric SMILES

CC1C(C(=O)C2=CC(=CC(=C2O1)Br)C(=O)O)N3C=CN=C3

InChI

InChI=1S/C14H11BrN2O4/c1-7-11(17-3-2-16-6-17)12(18)9-4-8(14(19)20)5-10(15)13(9)21-7/h2-7,11H,1H3,(H,19,20)