3-[5-[[2,2-bis(methoxymethyl)-3-oxidanyl-4H-chromen-3-yl]amino]-2-oxidanylidene-pyridin-1-yl]propanenitrile

Systemtic Name: 3-[5-[[2,2-bis(methoxymethyl)-3-oxidanyl-4H-chromen-3-yl]amino]-2-oxidanylidene-pyridin-1-yl]propanenitrile Openeye Name: 3-[5-[[3-hydroxy-2,2-bis(methoxymethyl)chroman-3-yl]amino]-2-oxo-1-pyridyl]propanenitrile CAS Name: 3-[5-[[3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-3-yl]amino]-2-oxo-1-pyridinyl]propanenitrile IUPAC Name: 3-[5-[[3-hydroxy-2,2-bis(methoxymethyl)-4H-chromen-3-yl]amino]-2-oxopyridin-1-yl]propanenitrile Traditional Name: 3-[5-[[3-hydroxy-2,2-bis(methoxymethyl)chroman-3-yl]amino]-2-keto-1-pyridyl]propionitrile Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(CC2=CC=CC=C2O1)(NC3=CN(C(=O)C=C3)CCC#N)O)COC

Isomeric SMILES

COCC1(C(CC2=CC=CC=C2O1)(NC3=CN(C(=O)C=C3)CCC#N)O)COC

InChI

InChI=1S/C21H25N3O5/c1-27-14-20(15-28-2)21(26,12-16-6-3-4-7-18(16)29-20)23-17-8-9-19(25)24(13-17)11-5-10-22/h3-4,6-9,13,23,26H,5,11-12,14-15H2,1-2H3