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

Systemtic Name: (3-oxidanylidene-1H-2-benzofuran-1-yl) 4-(cyanomethyl)-3-methyl-7-oxidanylidene-1,4-diazabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) 4-(cyanomethyl)-3-methyl-7-oxo-1,4-diazabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 4-(cyanomethyl)-3-methyl-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)-3-methyl-7-oxo-1,4-diazabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 4-(cyanomethyl)-7-keto-3-methyl-1,4-diazabicyclo[3.2.0]hept-2-ene-2-carboxylic acid phthalidyl ester Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(N1CC#N)CC2=O)C(=O)OC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC1=C(N2C(N1CC#N)CC2=O)C(=O)OC3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C17H13N3O5/c1-9-14(20-12(8-13(20)21)19(9)7-6-18)16(23)25-17-11-5-3-2-4-10(11)15(22)24-17/h2-5,12,17H,7-8H2,1H3