ethyl 6-azanyl-5-cyano-2-(2-ethoxy-2-oxidanylidene-ethyl)-4-(4-methoxycarbonylphenyl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-2-(2-ethoxy-2-oxidanylidene-ethyl)-4-(4-methoxycarbonylphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxo-ethyl)-4-(4-methoxycarbonylphenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(4-methoxycarbonylphenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(4-methoxycarbonylphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(4-carbomethoxyphenyl)-5-cyano-2-(2-ethoxy-2-keto-ethyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)C(=O)OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)C(=O)OC)C(=O)OCC

InChI

InChI=1S/C21H22N2O7/c1-4-28-16(24)10-15-18(21(26)29-5-2)17(14(11-22)19(23)30-15)12-6-8-13(9-7-12)20(25)27-3/h6-9,17H,4-5,10,23H2,1-3H3