ethyl 6-azanyl-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate CAS Name: 6-amino-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-2-(chloromethyl)-5-cyano-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C18H17ClN2O6 MolecularWeight: 392.79038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC3=C(C(=C2)OC)OCO3)C#N)N)CCl

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC3=C(C(=C2)OC)OCO3)C#N)N)CCl

InChI

InChI=1S/C18H17ClN2O6/c1-3-24-18(22)15-13(6-19)27-17(21)10(7-20)14(15)9-4-11(23-2)16-12(5-9)25-8-26-16/h4-5,14H,3,6,8,21H2,1-2H3