4-bromanyl-N-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[3-(4-chlorophenoxy)-5-nitro-phenyl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[3-(4-chlorophenoxy)-5-nitro-phenyl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C16H9BrClN5O6 MolecularWeight: 482.62956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br)Cl

Isomeric SMILES

C1=CC(=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br)Cl

InChI

InChI=1S/C16H9BrClN5O6/c17-13-14(20-21-15(13)23(27)28)16(24)19-9-5-10(22(25)26)7-12(6-9)29-11-3-1-8(18)2-4-11/h1-7H,(H,19,24)(H,20,21)