3-nitro-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-nitro-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-nitro-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazole-5-carboxamide CAS Name: 3-nitro-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-nitro-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-nitro-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1H-pyrazole-5-carboxamide Formula: C19H17N5O6 MolecularWeight: 411.36818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O6/c1-10-4-11(2)12(3)17(5-10)30-15-7-13(6-14(8-15)23(26)27)20-19(25)16-9-18(22-21-16)24(28)29/h4-9H,1-3H3,(H,20,25)(H,21,22)