1-[(4-bromanylphenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanylphenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenoxy)methyl]-N-(2-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-bromophenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide Formula: C17H13BrN4O4 MolecularWeight: 417.21352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H13BrN4O4/c18-12-5-7-13(8-6-12)26-11-21-10-9-15(20-21)17(23)19-14-3-1-2-4-16(14)22(24)25/h1-10H,11H2,(H,19,23)