(3R,5S)-5-chloranyl-1-prop-2-enoxycarbonyl-1,2-diazinane-3-carboxylic acid

Systemtic Name: (3R,5S)-5-chloranyl-1-prop-2-enoxycarbonyl-1,2-diazinane-3-carboxylic acid Openeye Name: (3R,5S)-1-allyloxycarbonyl-5-chloro-hexahydropyridazine-3-carboxylic acid CAS Name: (3R,5S)-5-chloro-1-[oxo(prop-2-enoxy)methyl]-3-diazinanecarboxylic acid IUPAC Name: (3R,5S)-5-chloro-1-prop-2-enoxycarbonyldiazinane-3-carboxylic acid Traditional Name: (3R,5S)-1-allyloxycarbonyl-5-chloro-hexahydropyridazine-3-carboxylic acid Formula: C9H13ClN2O4 MolecularWeight: 248.66352

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC(N1)C(=O)O)Cl

Isomeric SMILES

C=CCOC(=O)N1C[C@H](C[C@@H](N1)C(=O)O)Cl

InChI

InChI=1S/C9H13ClN2O4/c1-2-3-16-9(15)12-5-6(10)4-7(11-12)8(13)14/h2,6-7,11H,1,3-5H2,(H,13,14)/t6-,7+/m0/s1