2-methoxyethyl (4R,5R)-4-(4-cyanophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 2-methoxyethyl (4R,5R)-4-(4-cyanophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-methoxyethyl (4R,5R)-4-(4-cyanophenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5R)-4-(4-cyanophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4R,5R)-4-(4-cyanophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5R)-4-(4-cyanophenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C1C(NC(=O)NC1=C)C2=CC=C(C=C2)C#N

Isomeric SMILES

COCCOC(=O)[C@@H]1[C@@H](NC(=O)NC1=C)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H17N3O4/c1-10-13(15(20)23-8-7-22-2)14(19-16(21)18-10)12-5-3-11(9-17)4-6-12/h3-6,13-14H,1,7-8H2,2H3,(H2,18,19,21)/t13-,14-/m0/s1