2-cyanoethyl (4R,5S)-4-(3-methoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(C(=C)NC(=O)N2)C(=O)OCCC#N

Isomeric SMILES

COC1=CC=CC(=C1)[C@H]2[C@@H](C(=C)NC(=O)N2)C(=O)OCCC#N

InChI

InChI=1S/C16H17N3O4/c1-10-13(15(20)23-8-4-7-17)14(19-16(21)18-10)11-5-3-6-12(9-11)22-2/h3,5-6,9,13-14H,1,4,8H2,2H3,(H2,18,19,21)/t13-,14+/m1/s1