2-[3-(2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-yl)phenyl]-1,3-oxazole-4-carboxylic acid

Systemtic Name: 2-[3-(2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-yl)phenyl]-1,3-oxazole-4-carboxylic acid Openeye Name: 2-[3-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)phenyl]oxazole-4-carboxylic acid CAS Name: 2-[3-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)phenyl]-4-oxazolecarboxylic acid IUPAC Name: 2-[3-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)phenyl]-1,3-oxazole-4-carboxylic acid Traditional Name: 2-[3-(6-keto-2,2-dimethyl-1,3-dioxin-4-yl)phenyl]oxazole-4-carboxylic acid Formula: C16H13NO6 MolecularWeight: 315.27752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=CC(=O)O1)C2=CC=CC(=C2)C3=NC(=CO3)C(=O)O)C

Isomeric SMILES

CC1(OC(=CC(=O)O1)C2=CC=CC(=C2)C3=NC(=CO3)C(=O)O)C

InChI

InChI=1S/C16H13NO6/c1-16(2)22-12(7-13(18)23-16)9-4-3-5-10(6-9)14-17-11(8-21-14)15(19)20/h3-8H,1-2H3,(H,19,20)