methyl (4R)-6-azanyl-4-(4-chloranyl-1,3-benzodioxol-5-yl)-5-cyano-2-(2-methoxy-2-oxidanylidene-ethyl)-4H-pyran-3-carboxylate

Systemtic Name: methyl (4R)-6-azanyl-4-(4-chloranyl-1,3-benzodioxol-5-yl)-5-cyano-2-(2-methoxy-2-oxidanylidene-ethyl)-4H-pyran-3-carboxylate Openeye Name: methyl (4R)-6-amino-4-(4-chloro-1,3-benzodioxol-5-yl)-5-cyano-2-(2-methoxy-2-oxo-ethyl)-4H-pyran-3-carboxylate CAS Name: (4R)-6-amino-4-(4-chloro-1,3-benzodioxol-5-yl)-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl (4R)-6-amino-4-(4-chloro-1,3-benzodioxol-5-yl)-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate Traditional Name: (4R)-6-amino-4-(4-chloro-1,3-benzodioxol-5-yl)-5-cyano-2-(2-keto-2-methoxy-ethyl)-4H-pyran-3-carboxylic acid methyl ester Formula: C18H15ClN2O7 MolecularWeight: 406.7739

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=C(C3=C(C=C2)OCO3)Cl)C(=O)OC

Isomeric SMILES

COC(=O)CC1=C([C@@H](C(=C(O1)N)C#N)C2=C(C3=C(C=C2)OCO3)Cl)C(=O)OC

InChI

InChI=1S/C18H15ClN2O7/c1-24-12(22)5-11-14(18(23)25-2)13(9(6-20)17(21)28-11)8-3-4-10-16(15(8)19)27-7-26-10/h3-4,13H,5,7,21H2,1-2H3/t13-/m1/s1