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

Systemtic Name: (2S,4S)-2-(4-chlorophenyl)-3-methoxycarbonyl-6-oxidanylidene-1,3-diazinane-4-carboxylic acid Openeye Name: (2S,4S)-2-(4-chlorophenyl)-3-methoxycarbonyl-6-oxo-hexahydropyrimidine-4-carboxylic acid CAS Name: (2S,4S)-2-(4-chlorophenyl)-3-methoxycarbonyl-6-oxo-1,3-diazinane-4-carboxylic acid IUPAC Name: (2S,4S)-2-(4-chlorophenyl)-3-methoxycarbonyl-6-oxo-1,3-diazinane-4-carboxylic acid Traditional Name: (2S,4S)-3-carbomethoxy-2-(4-chlorophenyl)-6-keto-hexahydropyrimidine-4-carboxylic acid Formula: C13H13ClN2O5 MolecularWeight: 312.70572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN2O5/c1-21-13(20)16-9(12(18)19)6-10(17)15-11(16)7-2-4-8(14)5-3-7/h2-5,9,11H,6H2,1H3,(H,15,17)(H,18,19)/t9-,11-/m0/s1