2-[[4-chloranyl-2-(5-cyanoindol-1-yl)phenyl]amino]ethanoic acid

Systemtic Name: 2-[[4-chloranyl-2-(5-cyanoindol-1-yl)phenyl]amino]ethanoic acid Openeye Name: 2-[4-chloro-2-(5-cyanoindol-1-yl)anilino]acetic acid CAS Name: 2-[4-chloro-2-(5-cyano-1-indolyl)anilino]acetic acid IUPAC Name: 2-[4-chloro-2-(5-cyanoindol-1-yl)anilino]acetic acid Traditional Name: 2-[4-chloro-2-(5-cyanoindol-1-yl)anilino]acetic acid Formula: C17H12ClN3O2 MolecularWeight: 325.74908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN2C3=C(C=CC(=C3)Cl)NCC(=O)O)C=C1C#N

Isomeric SMILES

C1=CC2=C(C=CN2C3=C(C=CC(=C3)Cl)NCC(=O)O)C=C1C#N

InChI

InChI=1S/C17H12ClN3O2/c18-13-2-3-14(20-10-17(22)23)16(8-13)21-6-5-12-7-11(9-19)1-4-15(12)21/h1-8,20H,10H2,(H,22,23)