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

Systemtic Name: ethyl 4-[8-[[bis(cyanomethyl)amino]methyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[8-[[bis(cyanomethyl)amino]methyl]-7-hydroxy-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[8-[[bis(cyanomethyl)amino]methyl]-7-hydroxy-4-oxo-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[8-[[bis(cyanomethyl)amino]methyl]-7-hydroxy-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[8-[[bis(cyanomethyl)amino]methyl]-7-hydroxy-4-keto-chromen-3-yl]oxybenzoic acid ethyl ester Formula: C23H19N3O6 MolecularWeight: 433.41346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3CN(CC#N)CC#N)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3CN(CC#N)CC#N)O

InChI

InChI=1S/C23H19N3O6/c1-2-30-23(29)15-3-5-16(6-4-15)32-20-14-31-22-17(21(20)28)7-8-19(27)18(22)13-26(11-9-24)12-10-25/h3-8,14,27H,2,11-13H2,1H3