4-[bis(cyanomethyl)carbamoyl]benzoic acid

Systemtic Name: 4-[bis(cyanomethyl)carbamoyl]benzoic acid Openeye Name: 4-[bis(cyanomethyl)carbamoyl]benzoic acid CAS Name: 4-[[bis(cyanomethyl)amino]-oxomethyl]benzoic acid IUPAC Name: 4-[bis(cyanomethyl)carbamoyl]benzoic acid Traditional Name: 4-[bis(cyanomethyl)carbamoyl]benzoic acid Formula: C12H9N3O3 MolecularWeight: 243.21816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N(CC#N)CC#N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)N(CC#N)CC#N)C(=O)O

InChI

InChI=1S/C12H9N3O3/c13-5-7-15(8-6-14)11(16)9-1-3-10(4-2-9)12(17)18/h1-4H,7-8H2,(H,17,18)