1-(2-cyanoethyl)-N-(4-iodophenyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide

Systemtic Name: 1-(2-cyanoethyl)-N-(4-iodophenyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide Openeye Name: 1-(2-cyanoethyl)-N-(4-iodophenyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide CAS Name: 1-(2-cyanoethyl)-N-(4-iodophenyl)-3-(4-nitrophenyl)-4-pyrazolecarboxamide IUPAC Name: 1-(2-cyanoethyl)-N-(4-iodophenyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide Traditional Name: 1-(2-cyanoethyl)-N-(4-iodophenyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide Formula: C19H14IN5O3 MolecularWeight: 487.25063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C=C2C(=O)NC3=CC=C(C=C3)I)CCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C=C2C(=O)NC3=CC=C(C=C3)I)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C19H14IN5O3/c20-14-4-6-15(7-5-14)22-19(26)17-12-24(11-1-10-21)23-18(17)13-2-8-16(9-3-13)25(27)28/h2-9,12H,1,11H2,(H,22,26)