3-(4-cyanophenyl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 3-(4-cyanophenyl)-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 3-(4-cyanophenyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(4-cyanophenyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 3-(4-cyanophenyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-(4-cyanophenyl)-6-(1-hydroxyethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C16H13N2O4- MolecularWeight: 297.28542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)[O-])C3=CC=C(C=C3)C#N)O

Isomeric SMILES

CC(C1C2CC(=C(N2C1=O)C(=O)[O-])C3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C16H14N2O4/c1-8(19)13-12-6-11(10-4-2-9(7-17)3-5-10)14(16(21)22)18(12)15(13)20/h2-5,8,12-13,19H,6H2,1H3,(H,21,22)/p-1