N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C19H17N5O6 MolecularWeight: 411.36818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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