4-[[2-cyanoethyl(methyl)azaniumyl]methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate

Systemtic Name: 4-[[2-cyanoethyl(methyl)azaniumyl]methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate Openeye Name: 4-[[2-cyanoethyl(methyl)ammonio]methyl]-2-oxo-7-phenyl-chromen-6-olate CAS Name: 4-[[2-cyanoethyl(methyl)ammonio]methyl]-2-oxo-7-phenyl-1-benzopyran-6-olate IUPAC Name: 4-[[2-cyanoethyl(methyl)azaniumyl]methyl]-2-oxo-7-phenylchromen-6-olate Traditional Name: 4-[[2-cyanoethyl(methyl)ammonio]methyl]-2-keto-7-phenyl-chromen-6-olate Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC#N)CC1=CC(=O)OC2=CC(=C(C=C12)[O-])C3=CC=CC=C3

Isomeric SMILES

C[NH+](CCC#N)CC1=CC(=O)OC2=CC(=C(C=C12)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3/c1-22(9-5-8-21)13-15-10-20(24)25-19-12-16(18(23)11-17(15)19)14-6-3-2-4-7-14/h2-4,6-7,10-12,23H,5,9,13H2,1H3