3-(dimethylaminomethyl)-4-oxidanylidene-2,3-dihydrochromene-6-carboxylic acid

Systemtic Name: 3-(dimethylaminomethyl)-4-oxidanylidene-2,3-dihydrochromene-6-carboxylic acid Openeye Name: 3-(dimethylaminomethyl)-4-oxo-chromane-6-carboxylic acid CAS Name: 3-(dimethylaminomethyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid IUPAC Name: 3-(dimethylaminomethyl)-4-oxo-2,3-dihydrochromene-6-carboxylic acid Traditional Name: 3-(dimethylaminomethyl)-4-keto-chroman-6-carboxylic acid Formula: C13H15NO4 MolecularWeight: 249.2625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1COC2=C(C1=O)C=C(C=C2)C(=O)O

Isomeric SMILES

CN(C)CC1COC2=C(C1=O)C=C(C=C2)C(=O)O

InChI

InChI=1S/C13H15NO4/c1-14(2)6-9-7-18-11-4-3-8(13(16)17)5-10(11)12(9)15/h3-5,9H,6-7H2,1-2H3,(H,16,17)