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

Systemtic Name: methyl 6-azanyl-4-(1,3-benzodioxol-5-yl)-5-cyano-2-(2-methoxy-2-oxidanylidene-ethyl)-4H-pyran-3-carboxylate Openeye Name: methyl 6-amino-4-(1,3-benzodioxol-5-yl)-5-cyano-2-(2-methoxy-2-oxo-ethyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-4-(1,3-benzodioxol-5-yl)-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl 6-amino-4-(1,3-benzodioxol-5-yl)-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(1,3-benzodioxol-5-yl)-5-cyano-2-(2-keto-2-methoxy-ethyl)-4H-pyran-3-carboxylic acid methyl ester Formula: C18H16N2O7 MolecularWeight: 372.32884

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

COC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C18H16N2O7/c1-23-14(21)6-13-16(18(22)24-2)15(10(7-19)17(20)27-13)9-3-4-11-12(5-9)26-8-25-11/h3-5,15H,6,8,20H2,1-2H3