(2S,4S)-2-(4-chlorophenyl)-6-oxidanylidene-3-prop-2-enoxycarbonyl-1,3-diazinane-4-carboxylic acid

Systemtic Name: (2S,4S)-2-(4-chlorophenyl)-6-oxidanylidene-3-prop-2-enoxycarbonyl-1,3-diazinane-4-carboxylic acid Openeye Name: (2S,4S)-3-allyloxycarbonyl-2-(4-chlorophenyl)-6-oxo-hexahydropyrimidine-4-carboxylic acid CAS Name: (2S,4S)-2-(4-chlorophenyl)-6-oxo-3-[oxo(prop-2-enoxy)methyl]-1,3-diazinane-4-carboxylic acid IUPAC Name: (2S,4S)-2-(4-chlorophenyl)-6-oxo-3-prop-2-enoxycarbonyl-1,3-diazinane-4-carboxylic acid Traditional Name: (2S,4S)-3-allyloxycarbonyl-2-(4-chlorophenyl)-6-keto-hexahydropyrimidine-4-carboxylic acid Formula: C15H15ClN2O5 MolecularWeight: 338.743

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1C(CC(=O)NC1C2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C=CCOC(=O)N1[C@@H](CC(=O)N[C@@H]1C2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C15H15ClN2O5/c1-2-7-23-15(22)18-11(14(20)21)8-12(19)17-13(18)9-3-5-10(16)6-4-9/h2-6,11,13H,1,7-8H2,(H,17,19)(H,20,21)/t11-,13-/m0/s1