2-(4-aminophenyl)quinoline-4-carboxylic acid hydrate

Systemtic Name: 2-(4-aminophenyl)quinoline-4-carboxylic acid hydrate Openeye Name: 2-(4-aminophenyl)quinoline-4-carboxylic acid hydrate CAS Name: 2-(4-aminophenyl)-4-quinolinecarboxylic acid hydrate IUPAC Name: 2-(4-aminophenyl)quinoline-4-carboxylic acid hydrate Traditional Name: 2-(4-aminophenyl)cinchoninic acid hydrate Formula: C16H14N2O3 MolecularWeight: 282.29396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)N)C(=O)O.O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)N)C(=O)O.O

InChI

InChI=1S/C16H12N2O2.H2O/c17-11-7-5-10(6-8-11)15-9-13(16(19)20)12-3-1-2-4-14(12)18-15;/h1-9H,17H2,(H,19,20);1H2