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

Systemtic Name: 2-[[4-(cyanomethyl)phenyl]amino]quinoline-4-carboxylic acid Openeye Name: 2-[4-(cyanomethyl)anilino]quinoline-4-carboxylic acid CAS Name: 2-[4-(cyanomethyl)anilino]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(cyanomethyl)anilino]quinoline-4-carboxylic acid Traditional Name: 2-[4-(cyanomethyl)anilino]cinchoninic acid Formula: C18H13N3O2 MolecularWeight: 303.31472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)NC3=CC=C(C=C3)CC#N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)NC3=CC=C(C=C3)CC#N)C(=O)O

InChI

InChI=1S/C18H13N3O2/c19-10-9-12-5-7-13(8-6-12)20-17-11-15(18(22)23)14-3-1-2-4-16(14)21-17/h1-8,11H,9H2,(H,20,21)(H,22,23)