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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN(C=C2C(=O)NC3=CC=C(C=C3)I)CCC#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN(C=C2C(=O)NC3=CC=C(C=C3)I)CCC#N

InChI

InChI=1S/C19H14IN5O3/c20-14-5-7-15(8-6-14)22-19(26)17-12-24(10-2-9-21)23-18(17)13-3-1-4-16(11-13)25(27)28/h1,3-8,11-12H,2,10H2,(H,22,26)