(3-oxidanylidene-1H-2-benzofuran-1-yl) 4-(cyanomethyl)-7-oxidanylidene-1,4-diazabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (3-oxidanylidene-1H-2-benzofuran-1-yl) 4-(cyanomethyl)-7-oxidanylidene-1,4-diazabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) 4-(cyanomethyl)-7-oxo-1,4-diazabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 4-(cyanomethyl)-7-oxo-1,4-diazabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (3-oxo-1H-isobenzofuran-1-yl) ester IUPAC Name: (3-oxo-1H-2-benzofuran-1-yl) 4-(cyanomethyl)-7-oxo-1,4-diazabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 4-(cyanomethyl)-7-keto-1,4-diazabicyclo[3.2.0]hept-2-ene-2-carboxylic acid phthalidyl ester Formula: C16H11N3O5 MolecularWeight: 325.27564

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C=C(N2C1=O)C(=O)OC3C4=CC=CC=C4C(=O)O3)CC#N

Isomeric SMILES

C1C2N(C=C(N2C1=O)C(=O)OC3C4=CC=CC=C4C(=O)O3)CC#N

InChI

InChI=1S/C16H11N3O5/c17-5-6-18-8-11(19-12(18)7-13(19)20)15(22)24-16-10-4-2-1-3-9(10)14(21)23-16/h1-4,8,12,16H,6-7H2