ethyl (4R,5S,6E)-4-[4-(cyanomethoxy)-3-methoxy-phenyl]-2-oxidanylidene-6-propylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4R,5S,6E)-4-[4-(cyanomethoxy)-3-methoxy-phenyl]-2-oxidanylidene-6-propylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4R,5S,6E)-4-[4-(cyanomethoxy)-3-methoxy-phenyl]-2-oxo-6-propylidene-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S,6E)-4-[4-(cyanomethoxy)-3-methoxyphenyl]-2-oxo-6-propylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5S,6E)-4-[4-(cyanomethoxy)-3-methoxyphenyl]-2-oxo-6-propylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S,6E)-4-[4-(cyanomethoxy)-3-methoxy-phenyl]-2-keto-6-propylidene-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H23N3O5 MolecularWeight: 373.40302

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C1C(C(NC(=O)N1)C2=CC(=C(C=C2)OCC#N)OC)C(=O)OCC

Isomeric SMILES

CC/C=C/1\[C@H]([C@@H](NC(=O)N1)C2=CC(=C(C=C2)OCC#N)OC)C(=O)OCC

InChI

InChI=1S/C19H23N3O5/c1-4-6-13-16(18(23)26-5-2)17(22-19(24)21-13)12-7-8-14(27-10-9-20)15(11-12)25-3/h6-8,11,16-17H,4-5,10H2,1-3H3,(H2,21,22,24)/b13-6+/t16-,17+/m1/s1