4-[5-cyano-1-(2-hydroxyethyl)pyrrol-3-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[5-cyano-1-(2-hydroxyethyl)pyrrol-3-yl]-2-oxidanyl-benzoic acid Openeye Name: 4-[5-cyano-1-(2-hydroxyethyl)pyrrol-3-yl]-2-hydroxy-benzoic acid CAS Name: 4-[5-cyano-1-(2-hydroxyethyl)-3-pyrrolyl]-2-hydroxybenzoic acid IUPAC Name: 4-[5-cyano-1-(2-hydroxyethyl)pyrrol-3-yl]-2-hydroxybenzoic acid Traditional Name: 4-[5-cyano-1-(2-hydroxyethyl)pyrrol-3-yl]-2-hydroxy-benzoic acid Formula: C14H12N2O4 MolecularWeight: 272.25608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CN(C(=C2)C#N)CCO)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C2=CN(C(=C2)C#N)CCO)O)C(=O)O

InChI

InChI=1S/C14H12N2O4/c15-7-11-5-10(8-16(11)3-4-17)9-1-2-12(14(19)20)13(18)6-9/h1-2,5-6,8,17-18H,3-4H2,(H,19,20)