2-[bis(cyanomethyl)amino]quinoline-4-carboxylic acid

Systemtic Name: 2-[bis(cyanomethyl)amino]quinoline-4-carboxylic acid Openeye Name: 2-[bis(cyanomethyl)amino]quinoline-4-carboxylic acid CAS Name: 2-[bis(cyanomethyl)amino]-4-quinolinecarboxylic acid IUPAC Name: 2-[bis(cyanomethyl)amino]quinoline-4-carboxylic acid Traditional Name: 2-[bis(cyanomethyl)amino]cinchoninic acid Formula: C14H10N4O2 MolecularWeight: 266.2548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)N(CC#N)CC#N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)N(CC#N)CC#N)C(=O)O

InChI

InChI=1S/C14H10N4O2/c15-5-7-18(8-6-16)13-9-11(14(19)20)10-3-1-2-4-12(10)17-13/h1-4,9H,7-8H2,(H,19,20)