3-[3-[3-[bis(fluoranyl)methoxy]phenyl]-1-(2-cyanoethyl)pyrazol-4-yl]-2-cyano-prop-2-enoic acid

Systemtic Name: 3-[3-[3-[bis(fluoranyl)methoxy]phenyl]-1-(2-cyanoethyl)pyrazol-4-yl]-2-cyano-prop-2-enoic acid Openeye Name: 2-cyano-3-[1-(2-cyanoethyl)-3-[3-(difluoromethoxy)phenyl]pyrazol-4-yl]prop-2-enoic acid CAS Name: 2-cyano-3-[1-(2-cyanoethyl)-3-[3-(difluoromethoxy)phenyl]-4-pyrazolyl]-2-propenoic acid IUPAC Name: 2-cyano-3-[1-(2-cyanoethyl)-3-[3-(difluoromethoxy)phenyl]pyrazol-4-yl]prop-2-enoic acid Traditional Name: 2-cyano-3-[1-(2-cyanoethyl)-3-[3-(difluoromethoxy)phenyl]pyrazol-4-yl]acrylic acid Formula: C17H12F2N4O3 MolecularWeight: 358.298986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(F)F)C2=NN(C=C2C=C(C#N)C(=O)O)CCC#N

Isomeric SMILES

C1=CC(=CC(=C1)OC(F)F)C2=NN(C=C2C=C(C#N)C(=O)O)CCC#N

InChI

InChI=1S/C17H12F2N4O3/c18-17(19)26-14-4-1-3-11(8-14)15-13(7-12(9-21)16(24)25)10-23(22-15)6-2-5-20/h1,3-4,7-8,10,17H,2,6H2,(H,24,25)