3-(1,3-benzodioxol-5-yl)-N-(4-methyl-3,5-dinitro-phenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-(4-methyl-3,5-dinitro-phenyl)-1H-pyrazole-5-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-(4-methyl-3,5-dinitro-phenyl)-1H-pyrazole-5-carboxamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-(4-methyl-3,5-dinitrophenyl)-1H-pyrazole-5-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-(4-methyl-3,5-dinitrophenyl)-1H-pyrazole-5-carboxamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-(4-methyl-3,5-dinitro-phenyl)-1H-pyrazole-5-carboxamide Formula: C18H13N5O7 MolecularWeight: 411.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=CC(=NN2)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=CC(=NN2)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O7/c1-9-14(22(25)26)5-11(6-15(9)23(27)28)19-18(24)13-7-12(20-21-13)10-2-3-16-17(4-10)30-8-29-16/h2-7H,8H2,1H3,(H,19,24)(H,20,21)