[2-(furan-2-ylcarbonylamino)-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-(furan-2-ylcarbonylamino)-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(furan-2-carbonylamino)-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-[[2-furanyl(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-carbonylamino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(2-furoylamino)-2-keto-ethyl] ester Formula: C17H13N3O6 MolecularWeight: 355.30162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

C1=COC(=C1)C(=O)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C17H13N3O6/c18-8-7-14(21)19-12-5-3-11(4-6-12)17(24)26-10-15(22)20-16(23)13-2-1-9-25-13/h1-6,9H,7,10H2,(H,19,21)(H,20,22,23)