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

Systemtic Name: 4-[1-(2-azanylethyl)-5-cyano-pyrrol-3-yl]-2-oxidanyl-benzoic acid Openeye Name: 4-[1-(2-aminoethyl)-5-cyano-pyrrol-3-yl]-2-hydroxy-benzoic acid CAS Name: 4-[1-(2-aminoethyl)-5-cyano-3-pyrrolyl]-2-hydroxybenzoic acid IUPAC Name: 4-[1-(2-aminoethyl)-5-cyanopyrrol-3-yl]-2-hydroxybenzoic acid Traditional Name: 4-[1-(2-aminoethyl)-5-cyano-pyrrol-3-yl]-2-hydroxy-benzoic acid Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O3/c15-3-4-17-8-10(5-11(17)7-16)9-1-2-12(14(19)20)13(18)6-9/h1-2,5-6,8,18H,3-4,15H2,(H,19,20)