(3S,4R)-4-azanyl-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3S,4R)-4-azanyl-2,2-bis(methoxymethyl)-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S,4R)-4-amino-3-hydroxy-2,2-bis(methoxymethyl)chromane-6-carbonitrile CAS Name: (3S,4R)-4-amino-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S,4R)-4-amino-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S,4R)-4-amino-3-hydroxy-2,2-bis(methoxymethyl)chroman-6-carbonitrile Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)N)O)COC

Isomeric SMILES

COCC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N)O)COC

InChI

InChI=1S/C14H18N2O4/c1-18-7-14(8-19-2)13(17)12(16)10-5-9(6-15)3-4-11(10)20-14/h3-5,12-13,17H,7-8,16H2,1-2H3/t12-,13+/m1/s1