ethyl 3-[2-azanyl-3-cyano-6-(2-ethoxy-2-oxidanylidene-ethyl)-5-methoxy-4H-pyran-4-yl]benzoate

Systemtic Name: ethyl 3-[2-azanyl-3-cyano-6-(2-ethoxy-2-oxidanylidene-ethyl)-5-methoxy-4H-pyran-4-yl]benzoate Openeye Name: ethyl 3-[2-amino-3-cyano-6-(2-ethoxy-2-oxo-ethyl)-5-methoxy-4H-pyran-4-yl]benzoate CAS Name: 3-[2-amino-3-cyano-6-(2-ethoxy-2-oxoethyl)-5-methoxy-4H-pyran-4-yl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-amino-3-cyano-6-(2-ethoxy-2-oxoethyl)-5-methoxy-4H-pyran-4-yl]benzoate Traditional Name: 3-[2-amino-3-cyano-6-(2-ethoxy-2-keto-ethyl)-5-methoxy-4H-pyran-4-yl]benzoic acid ethyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c1-4-26-16(23)10-15-18(25-3)17(14(11-21)19(22)28-15)12-7-6-8-13(9-12)20(24)27-5-2/h6-9,17H,4-5,10,22H2,1-3H3