5-tert-butyl-N-(2,4-dimethyl-5-nitro-phenyl)-2-methyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 5-tert-butyl-N-(2,4-dimethyl-5-nitro-phenyl)-2-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: 5-tert-butyl-N-(2,4-dimethyl-5-nitro-phenyl)-2-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: 5-tert-butyl-N-(2,4-dimethyl-5-nitrophenyl)-2-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: 5-tert-butyl-N-(2,4-dimethyl-5-nitrophenyl)-2-methyl-4-nitropyrazole-3-carboxamide Traditional Name: 5-tert-butyl-N-(2,4-dimethyl-5-nitro-phenyl)-2-methyl-4-nitro-pyrazole-3-carboxamide Formula: C17H21N5O5 MolecularWeight: 375.37914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C2=C(C(=NN2C)C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C2=C(C(=NN2C)C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C17H21N5O5/c1-9-7-10(2)12(21(24)25)8-11(9)18-16(23)14-13(22(26)27)15(17(3,4)5)19-20(14)6/h7-8H,1-6H3,(H,18,23)