ethyl (1S,6S)-4-oxidanylidene-3,5-diazabicyclo[4.2.0]oct-7-ene-3-carboxylate

Systemtic Name: ethyl (1S,6S)-4-oxidanylidene-3,5-diazabicyclo[4.2.0]oct-7-ene-3-carboxylate Openeye Name: ethyl (1S,6S)-4-oxo-3,5-diazabicyclo[4.2.0]oct-7-ene-3-carboxylate CAS Name: (1S,6S)-4-oxo-3,5-diazabicyclo[4.2.0]oct-7-ene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-4-oxo-3,5-diazabicyclo[4.2.0]oct-7-ene-3-carboxylate Traditional Name: (1S,6S)-4-keto-3,5-diazabicyclo[4.2.0]oct-7-ene-3-carboxylic acid ethyl ester Formula: C9H12N2O3 MolecularWeight: 196.20318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC2C=CC2NC1=O

Isomeric SMILES

CCOC(=O)N1C[C@@H]2C=C[C@@H]2NC1=O

InChI

InChI=1S/C9H12N2O3/c1-2-14-9(13)11-5-6-3-4-7(6)10-8(11)12/h3-4,6-7H,2,5H2,1H3,(H,10,12)/t6-,7-/m0/s1