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

Systemtic Name: 4-bromanyl-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C18H14BrN5O6 MolecularWeight: 476.23766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN5O6/c1-9-3-10(2)5-13(4-9)30-14-7-11(6-12(8-14)23(26)27)20-18(25)16-15(19)17(22-21-16)24(28)29/h3-8H,1-2H3,(H,20,25)(H,21,22)