ethyl 4-[8-[[bis(cyanomethyl)amino]methyl]-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate

Systemtic Name: ethyl 4-[8-[[bis(cyanomethyl)amino]methyl]-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[8-[[bis(cyanomethyl)amino]methyl]-7-hydroxy-2-methyl-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[8-[[bis(cyanomethyl)amino]methyl]-7-hydroxy-2-methyl-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[8-[[bis(cyanomethyl)amino]methyl]-7-hydroxy-2-methyl-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[8-[[bis(cyanomethyl)amino]methyl]-7-hydroxy-4-keto-2-methyl-chromen-3-yl]oxybenzoic acid ethyl ester Formula: C24H21N3O6 MolecularWeight: 447.44004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN(CC#N)CC#N)O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN(CC#N)CC#N)O)C

InChI

InChI=1S/C24H21N3O6/c1-3-31-24(30)16-4-6-17(7-5-16)33-22-15(2)32-23-18(21(22)29)8-9-20(28)19(23)14-27(12-10-25)13-11-26/h4-9,28H,3,12-14H2,1-2H3