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

Systemtic Name: ethyl 2-[2-azanyl-3-cyano-6-ethoxy-4-(4-methylphenyl)-5-oxidanylidene-4H-oxepin-7-yl]ethanoate Openeye Name: ethyl 2-[2-amino-3-cyano-6-ethoxy-5-oxo-4-(p-tolyl)-4H-oxepin-7-yl]acetate CAS Name: 2-[2-amino-3-cyano-6-ethoxy-4-(4-methylphenyl)-5-oxo-4H-oxepin-7-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-amino-3-cyano-6-ethoxy-4-(4-methylphenyl)-5-oxo-4H-oxepin-7-yl]acetate Traditional Name: 2-[2-amino-3-cyano-6-ethoxy-5-keto-4-(p-tolyl)-4H-oxepin-7-yl]acetic acid ethyl ester Formula: C20H22N2O5 MolecularWeight: 370.39908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5/c1-4-25-16(23)10-15-19(26-5-2)18(24)17(14(11-21)20(22)27-15)13-8-6-12(3)7-9-13/h6-9,17H,4-5,10,22H2,1-3H3