(4-methyl-2-oxidanylidene-chromen-7-yl) 3-cyanobenzoate

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 3-cyanobenzoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C18H11NO4 MolecularWeight: 305.28424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H11NO4/c1-11-7-17(20)23-16-9-14(5-6-15(11)16)22-18(21)13-4-2-3-12(8-13)10-19/h2-9H,1H3