1-[bis(cyanomethyl)amino]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[bis(cyanomethyl)amino]isoquinoline-3-carboxylic acid Openeye Name: 1-[bis(cyanomethyl)amino]isoquinoline-3-carboxylic acid CAS Name: 1-[bis(cyanomethyl)amino]-3-isoquinolinecarboxylic acid IUPAC Name: 1-[bis(cyanomethyl)amino]isoquinoline-3-carboxylic acid Traditional Name: 1-[bis(cyanomethyl)amino]isoquinoline-3-carboxylic acid Formula: C14H10N4O2 MolecularWeight: 266.2548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2N(CC#N)CC#N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2N(CC#N)CC#N)C(=O)O

InChI

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