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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C(=N2)C(=O)NN=CC3=CC=NC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C(=N2)C(=O)N/N=C/C3=CC=NC=C3)Br)[N+](=O)[O-]

InChI

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