3-[[6,7-bis(oxidanyl)-2-oxidanylidene-chromen-4-yl]methyl-methyl-amino]propanenitrile

Systemtic Name: 3-[[6,7-bis(oxidanyl)-2-oxidanylidene-chromen-4-yl]methyl-methyl-amino]propanenitrile Openeye Name: 3-[(6,7-dihydroxy-2-oxo-chromen-4-yl)methyl-methyl-amino]propanenitrile CAS Name: 3-[(6,7-dihydroxy-2-oxo-1-benzopyran-4-yl)methyl-methylamino]propanenitrile IUPAC Name: 3-[(6,7-dihydroxy-2-oxochromen-4-yl)methyl-methylamino]propanenitrile Traditional Name: 3-[(6,7-dihydroxy-2-keto-chromen-4-yl)methyl-methyl-amino]propionitrile Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)CC1=CC(=O)OC2=CC(=C(C=C12)O)O

Isomeric SMILES

CN(CCC#N)CC1=CC(=O)OC2=CC(=C(C=C12)O)O

InChI

InChI=1S/C14H14N2O4/c1-16(4-2-3-15)8-9-5-14(19)20-13-7-12(18)11(17)6-10(9)13/h5-7,17-18H,2,4,8H2,1H3