2-[3-chloranyl-2-cyano-4-(1H-pyrrol-2-ylamino)phenyl]-2-oxidanyl-ethanoic acid

Systemtic Name: 2-[3-chloranyl-2-cyano-4-(1H-pyrrol-2-ylamino)phenyl]-2-oxidanyl-ethanoic acid Openeye Name: 2-[3-chloro-2-cyano-4-(1H-pyrrol-2-ylamino)phenyl]-2-hydroxy-acetic acid CAS Name: 2-[3-chloro-2-cyano-4-(1H-pyrrol-2-ylamino)phenyl]-2-hydroxyacetic acid IUPAC Name: 2-[3-chloro-2-cyano-4-(1H-pyrrol-2-ylamino)phenyl]-2-hydroxyacetic acid Traditional Name: 2-[3-chloro-2-cyano-4-(1H-pyrrol-2-ylamino)phenyl]-2-hydroxy-acetic acid Formula: C13H10ClN3O3 MolecularWeight: 291.6898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C1)NC2=C(C(=C(C=C2)C(C(=O)O)O)C#N)Cl

Isomeric SMILES

C1=CNC(=C1)NC2=C(C(=C(C=C2)C(C(=O)O)O)C#N)Cl

InChI

InChI=1S/C13H10ClN3O3/c14-11-8(6-15)7(12(18)13(19)20)3-4-9(11)17-10-2-1-5-16-10/h1-5,12,16-18H,(H,19,20)