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

Systemtic Name: 1-[(4-bromanyl-2-chloranyl-phenoxy)methyl]-N-[2-(4-nitropyrazol-1-yl)ethyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromo-2-chloro-phenoxy)methyl]-N-[2-(4-nitropyrazol-1-yl)ethyl]pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-2-chlorophenoxy)methyl]-N-[2-(4-nitro-1-pyrazolyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromo-2-chlorophenoxy)methyl]-N-[2-(4-nitropyrazol-1-yl)ethyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-bromo-2-chloro-phenoxy)methyl]-N-[2-(4-nitropyrazol-1-yl)ethyl]pyrazole-3-carboxamide Formula: C16H14BrClN6O4 MolecularWeight: 469.67716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)Cl)OCN2C=CC(=N2)C(=O)NCCN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Br)Cl)OCN2C=CC(=N2)C(=O)NCCN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H14BrClN6O4/c17-11-1-2-15(13(18)7-11)28-10-23-5-3-14(21-23)16(25)19-4-6-22-9-12(8-20-22)24(26)27/h1-3,5,7-9H,4,6,10H2,(H,19,25)