3-[3-(2-bromophenyl)-4-methanoyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3-(2-bromophenyl)-4-methanoyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[3-(2-bromophenyl)-4-formyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[3-(2-bromophenyl)-4-formyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3-(2-bromophenyl)-4-formylpyrazol-1-yl]propanenitrile Traditional Name: 3-[3-(2-bromophenyl)-4-formyl-pyrazol-1-yl]propionitrile Formula: C13H10BrN3O MolecularWeight: 304.142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrN3O/c14-12-5-2-1-4-11(12)13-10(9-18)8-17(16-13)7-3-6-15/h1-2,4-5,8-9H,3,7H2