3-[[bis(cyanomethyl)amino]methyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-[[bis(cyanomethyl)amino]methyl]-1-benzofuran-2-carboxylic acid Openeye Name: 3-[[bis(cyanomethyl)amino]methyl]benzofuran-2-carboxylic acid CAS Name: 3-[[bis(cyanomethyl)amino]methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-[[bis(cyanomethyl)amino]methyl]-1-benzofuran-2-carboxylic acid Traditional Name: 3-[[bis(cyanomethyl)amino]methyl]coumarilic acid Formula: C14H11N3O3 MolecularWeight: 269.25544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(O2)C(=O)O)CN(CC#N)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)C(=O)O)CN(CC#N)CC#N

InChI

InChI=1S/C14H11N3O3/c15-5-7-17(8-6-16)9-11-10-3-1-2-4-12(10)20-13(11)14(18)19/h1-4H,7-9H2,(H,18,19)