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

Systemtic Name: 2-cyanoethyl (4R,5S)-4-(3-methoxy-4-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-cyanoethyl (4R,5S)-4-(4-hydroxy-3-methoxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(4-hydroxy-3-methoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl (4R,5S)-4-(4-hydroxy-3-methoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(4-hydroxy-3-methoxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-cyanoethyl ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5/c1-9-13(15(21)24-7-3-6-17)14(19-16(22)18-9)10-4-5-11(20)12(8-10)23-2/h4-5,8,13-14,20H,1,3,7H2,2H3,(H2,18,19,22)/t13-,14+/m1/s1