ethyl 2-[2-azanyl-3-cyano-6-ethoxy-4-(4-methoxyphenyl)-5-oxidanylidene-4H-oxepin-7-yl]ethanoate

Systemtic Name: ethyl 2-[2-azanyl-3-cyano-6-ethoxy-4-(4-methoxyphenyl)-5-oxidanylidene-4H-oxepin-7-yl]ethanoate Openeye Name: ethyl 2-[2-amino-3-cyano-6-ethoxy-4-(4-methoxyphenyl)-5-oxo-4H-oxepin-7-yl]acetate CAS Name: 2-[2-amino-3-cyano-6-ethoxy-4-(4-methoxyphenyl)-5-oxo-4H-oxepin-7-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-amino-3-cyano-6-ethoxy-4-(4-methoxyphenyl)-5-oxo-4H-oxepin-7-yl]acetate Traditional Name: 2-[2-amino-3-cyano-6-ethoxy-5-keto-4-(4-methoxyphenyl)-4H-oxepin-7-yl]acetic acid ethyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(OC(=C(C(C1=O)C2=CC=C(C=C2)OC)C#N)N)CC(=O)OCC

Isomeric SMILES

CCOC1=C(OC(=C(C(C1=O)C2=CC=C(C=C2)OC)C#N)N)CC(=O)OCC

InChI

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