5-chloranyl-3-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid

Systemtic Name: 5-chloranyl-3-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid Openeye Name: 5-chloro-3-[2-(3-cyanoanilino)-2-oxo-ethyl]-1H-indole-2-carboxylic acid CAS Name: 5-chloro-3-[2-(3-cyanoanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-chloro-3-[2-(3-cyanoanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid Traditional Name: 5-chloro-3-[2-(3-cyanoanilino)-2-keto-ethyl]-1H-indole-2-carboxylic acid Formula: C18H12ClN3O3 MolecularWeight: 353.75918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O)C#N

InChI

InChI=1S/C18H12ClN3O3/c19-11-4-5-15-13(7-11)14(17(22-15)18(24)25)8-16(23)21-12-3-1-2-10(6-12)9-20/h1-7,22H,8H2,(H,21,23)(H,24,25)