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

Systemtic Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)-N-(4-nitrophenyl)pyrazole-4-carboxamide Openeye Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)-N-(4-nitrophenyl)pyrazole-4-carboxamide CAS Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)-N-(4-nitrophenyl)-4-pyrazolecarboxamide IUPAC Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)-N-(4-nitrophenyl)pyrazole-4-carboxamide Traditional Name: 3-(3-bromophenyl)-1-(2-cyanoethyl)-N-(4-nitrophenyl)pyrazole-4-carboxamide Formula: C19H14BrN5O3 MolecularWeight: 440.25016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14BrN5O3/c20-14-4-1-3-13(11-14)18-17(12-24(23-18)10-2-9-21)19(26)22-15-5-7-16(8-6-15)25(27)28/h1,3-8,11-12H,2,10H2,(H,22,26)