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

Systemtic Name: 4-bromanyl-N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C17H11BrClN5O6 MolecularWeight: 496.65614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br)Cl

InChI

InChI=1S/C17H11BrClN5O6/c1-8-4-11(2-3-13(8)19)30-12-6-9(5-10(7-12)23(26)27)20-17(25)15-14(18)16(22-21-15)24(28)29/h2-7H,1H3,(H,20,25)(H,21,22)