3-[3-(1-benzofuran-2-yl)-1-(2-cyanoethyl)pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: 3-[3-(1-benzofuran-2-yl)-1-(2-cyanoethyl)pyrazol-4-yl]prop-2-enoic acid Openeye Name: 3-[3-(benzofuran-2-yl)-1-(2-cyanoethyl)pyrazol-4-yl]prop-2-enoic acid CAS Name: 3-[3-(2-benzofuranyl)-1-(2-cyanoethyl)-4-pyrazolyl]-2-propenoic acid IUPAC Name: 3-[3-(1-benzofuran-2-yl)-1-(2-cyanoethyl)pyrazol-4-yl]prop-2-enoic acid Traditional Name: 3-[3-(benzofuran-2-yl)-1-(2-cyanoethyl)pyrazol-4-yl]acrylic acid Formula: C17H13N3O3 MolecularWeight: 307.30342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O3/c18-8-3-9-20-11-13(6-7-16(21)22)17(19-20)15-10-12-4-1-2-5-14(12)23-15/h1-2,4-7,10-11H,3,9H2,(H,21,22)