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

Systemtic Name: 1-[(4-bromanyl-2-chloranyl-phenoxy)methyl]-N-(2-cyano-4-nitro-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-bromo-2-chloro-phenoxy)methyl]-N-(2-cyano-4-nitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-2-chlorophenoxy)methyl]-N-(2-cyano-4-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromo-2-chlorophenoxy)methyl]-N-(2-cyano-4-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-bromo-2-chloro-phenoxy)methyl]-N-(2-cyano-4-nitro-phenyl)pyrazole-3-carboxamide Formula: C18H11BrClN5O4 MolecularWeight: 476.66804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11BrClN5O4/c19-12-1-4-17(14(20)8-12)29-10-24-6-5-16(23-24)18(26)22-15-3-2-13(25(27)28)7-11(15)9-21/h1-8H,10H2,(H,22,26)