5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: 5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: 5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: 5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-nitropyrazole-3-carboxamide Traditional Name: 5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-nitro-pyrazole-3-carboxamide Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C17H20N4O5/c1-17(2,3)15-13(21(23)24)14(20(4)19-15)16(22)18-10-5-6-11-12(9-10)26-8-7-25-11/h5-6,9H,7-8H2,1-4H3,(H,18,22)