4-bromanyl-1-[(4-nitrophenyl)methyl]-N-[(E)-pyridin-2-ylmethylideneamino]pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-1-[(4-nitrophenyl)methyl]-N-[(E)-pyridin-2-ylmethylideneamino]pyrazole-3-carboxamide Openeye Name: 4-bromo-1-[(4-nitrophenyl)methyl]-N-[(E)-2-pyridylmethyleneamino]pyrazole-3-carboxamide CAS Name: 4-bromo-1-[(4-nitrophenyl)methyl]-N-[(E)-2-pyridinylmethylideneamino]-3-pyrazolecarboxamide IUPAC Name: 4-bromo-1-[(4-nitrophenyl)methyl]-N-[(E)-pyridin-2-ylmethylideneamino]pyrazole-3-carboxamide Traditional Name: 4-bromo-1-(4-nitrobenzyl)-N-[(E)-2-pyridylmethyleneamino]pyrazole-3-carboxamide Formula: C17H13BrN6O3 MolecularWeight: 429.22752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C=NNC(=O)C2=NN(C=C2Br)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)/C=N/NC(=O)C2=NN(C=C2Br)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13BrN6O3/c18-15-11-23(10-12-4-6-14(7-5-12)24(26)27)22-16(15)17(25)21-20-9-13-3-1-2-8-19-13/h1-9,11H,10H2,(H,21,25)/b20-9+