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

Systemtic Name: methyl 4-[2-azanyl-3-cyano-6-ethoxy-7-(2-ethoxy-2-oxidanylidene-ethyl)-5-oxidanylidene-4H-oxepin-4-yl]benzoate Openeye Name: methyl 4-[2-amino-3-cyano-6-ethoxy-7-(2-ethoxy-2-oxo-ethyl)-5-oxo-4H-oxepin-4-yl]benzoate CAS Name: 4-[2-amino-3-cyano-6-ethoxy-7-(2-ethoxy-2-oxoethyl)-5-oxo-4H-oxepin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-amino-3-cyano-6-ethoxy-7-(2-ethoxy-2-oxoethyl)-5-oxo-4H-oxepin-4-yl]benzoate Traditional Name: 4-[2-amino-3-cyano-6-ethoxy-7-(2-ethoxy-2-keto-ethyl)-5-keto-4H-oxepin-4-yl]benzoic acid methyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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