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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C=C2C=O)CCC#N)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C=C2C=O)CCC#N)Br

InChI

InChI=1S/C13H10BrN3O/c14-12-4-2-10(3-5-12)13-11(9-18)8-17(16-13)7-1-6-15/h2-5,8-9H,1,7H2