2-[bis(cyanomethyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid

Systemtic Name: 2-[bis(cyanomethyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Openeye Name: 2-[bis(cyanomethyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid CAS Name: 2-[[bis(cyanomethyl)amino]-oxomethyl]-3-bicyclo[2.2.1]hept-5-enecarboxylic acid IUPAC Name: 2-[bis(cyanomethyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Traditional Name: 2-[bis(cyanomethyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C=CC1C(C2C(=O)N(CC#N)CC#N)C(=O)O

Isomeric SMILES

C1C2C=CC1C(C2C(=O)N(CC#N)CC#N)C(=O)O

InChI

InChI=1S/C13H13N3O3/c14-3-5-16(6-4-15)12(17)10-8-1-2-9(7-8)11(10)13(18)19/h1-2,8-11H,5-7H2,(H,18,19)