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

Systemtic Name: 4-[3-cyano-4-(2-hydroxyphenyl)pyrrol-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 4-[3-cyano-4-(2-hydroxyphenyl)pyrrol-1-yl]-2-hydroxy-benzoic acid CAS Name: 4-[3-cyano-4-(2-hydroxyphenyl)-1-pyrrolyl]-2-hydroxybenzoic acid IUPAC Name: 4-[3-cyano-4-(2-hydroxyphenyl)pyrrol-1-yl]-2-hydroxybenzoic acid Traditional Name: 4-[3-cyano-4-(2-hydroxyphenyl)pyrrol-1-yl]-2-hydroxy-benzoic acid Formula: C18H12N2O4 MolecularWeight: 320.29888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CN(C=C2C#N)C3=CC(=C(C=C3)C(=O)O)O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CN(C=C2C#N)C3=CC(=C(C=C3)C(=O)O)O)O

InChI

InChI=1S/C18H12N2O4/c19-8-11-9-20(10-15(11)13-3-1-2-4-16(13)21)12-5-6-14(18(23)24)17(22)7-12/h1-7,9-10,21-22H,(H,23,24)