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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C13H12N4O5 MolecularWeight: 304.25818

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O5/c1-16-7-9(17(19)20)12(15-16)13(18)14-8-2-3-10-11(6-8)22-5-4-21-10/h2-3,6-7H,4-5H2,1H3,(H,14,18)