1-[(4-bromanyl-2-chloranyl-phenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanyl-2-chloranyl-phenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-bromo-2-chloro-phenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-2-chlorophenoxy)methyl]-N-(2-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromo-2-chlorophenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-bromo-2-chloro-phenoxy)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide Formula: C17H12BrClN4O4 MolecularWeight: 451.65858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrClN4O4/c18-11-5-6-16(12(19)9-11)27-10-22-8-7-14(21-22)17(24)20-13-3-1-2-4-15(13)23(25)26/h1-9H,10H2,(H,20,24)