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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])CCC#N)Br

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])CCC#N)Br

InChI

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