(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl pyridine-4-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl pyridine-4-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl pyridine-4-carboxylate Traditional Name: isonicotinic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C18H15NO4 MolecularWeight: 309.316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=NC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=NC=C3)C

InChI

InChI=1S/C18H15NO4/c1-11-3-4-15-14(9-16(20)23-17(15)12(11)2)10-22-18(21)13-5-7-19-8-6-13/h3-9H,10H2,1-2H3