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

Systemtic Name: 4-[[2-cyanoethyl(methyl)azaniumyl]methyl]-7-methyl-2-oxidanylidene-chromen-6-olate Openeye Name: 4-[[2-cyanoethyl(methyl)ammonio]methyl]-7-methyl-2-oxo-chromen-6-olate CAS Name: 4-[[2-cyanoethyl(methyl)ammonio]methyl]-7-methyl-2-oxo-1-benzopyran-6-olate IUPAC Name: 4-[[2-cyanoethyl(methyl)azaniumyl]methyl]-7-methyl-2-oxochromen-6-olate Traditional Name: 4-[[2-cyanoethyl(methyl)ammonio]methyl]-2-keto-7-methyl-chromen-6-olate Formula: C15H16N2O3 MolecularWeight: 272.29914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+](C)CCC#N)[O-]

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+](C)CCC#N)[O-]

InChI

InChI=1S/C15H16N2O3/c1-10-6-14-12(8-13(10)18)11(7-15(19)20-14)9-17(2)5-3-4-16/h6-8,18H,3,5,9H2,1-2H3