3-(1-benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carboxylic acid

Systemtic Name: 3-(1-benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carboxylic acid Openeye Name: 3-(benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carboxylic acid CAS Name: 3-(2-benzofuranyl)-1-(2-cyanoethyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-(1-benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carboxylic acid Traditional Name: 3-(benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carboxylic acid Formula: C15H11N3O3 MolecularWeight: 281.26614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C3=NN(C=C3C(=O)O)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C3=NN(C=C3C(=O)O)CCC#N

InChI

InChI=1S/C15H11N3O3/c16-6-3-7-18-9-11(15(19)20)14(17-18)13-8-10-4-1-2-5-12(10)21-13/h1-2,4-5,8-9H,3,7H2,(H,19,20)