3-[3-(4-bromophenyl)-4-(2,2-dicyanoethenyl)pyrazol-1-yl]propanoate

Systemtic Name: 3-[3-(4-bromophenyl)-4-(2,2-dicyanoethenyl)pyrazol-1-yl]propanoate Openeye Name: 3-[3-(4-bromophenyl)-4-(2,2-dicyanovinyl)pyrazol-1-yl]propanoate CAS Name: 3-[3-(4-bromophenyl)-4-(2,2-dicyanoethenyl)-1-pyrazolyl]propanoate IUPAC Name: 3-[3-(4-bromophenyl)-4-(2,2-dicyanoethenyl)pyrazol-1-yl]propanoate Traditional Name: 3-[3-(4-bromophenyl)-4-(2,2-dicyanovinyl)pyrazol-1-yl]propionate Formula: C16H10BrN4O2- MolecularWeight: 370.1802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrN4O2/c17-14-3-1-12(2-4-14)16-13(7-11(8-18)9-19)10-21(20-16)6-5-15(22)23/h1-4,7,10H,5-6H2,(H,22,23)/p-1