ethyl (1S,5S,6S)-7-diethoxyphosphoryl-5-oxidanyl-7-azabicyclo[4.1.0]hept-2-ene-3-carboxylate

Systemtic Name: ethyl (1S,5S,6S)-7-diethoxyphosphoryl-5-oxidanyl-7-azabicyclo[4.1.0]hept-2-ene-3-carboxylate Openeye Name: ethyl (1S,5S,6S)-7-diethoxyphosphoryl-5-hydroxy-7-azabicyclo[4.1.0]hept-2-ene-3-carboxylate CAS Name: (1S,5S,6S)-7-diethoxyphosphoryl-5-hydroxy-7-azabicyclo[4.1.0]hept-2-ene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,5S,6S)-7-diethoxyphosphoryl-5-hydroxy-7-azabicyclo[4.1.0]hept-2-ene-3-carboxylate Traditional Name: (1S,5S,6S)-7-diethoxyphosphoryl-5-hydroxy-7-azabicyclo[4.1.0]hept-2-ene-3-carboxylic acid ethyl ester Formula: C13H22NO6P MolecularWeight: 319.290641

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2C(N2P(=O)(OCC)OCC)C(C1)O

Isomeric SMILES

CCOC(=O)C1=C[C@H]2[C@H](N2P(=O)(OCC)OCC)[C@H](C1)O

InChI

InChI=1S/C13H22NO6P/c1-4-18-13(16)9-7-10-12(11(15)8-9)14(10)21(17,19-5-2)20-6-3/h7,10-12,15H,4-6,8H2,1-3H3/t10-,11-,12-,14?/m0/s1