N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C16H17N5O6 MolecularWeight: 375.33608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O6/c1-9-15(21(24)25)10(2)20(19-9)8-14(22)18-16(23)17-11-3-4-12-13(7-11)27-6-5-26-12/h3-4,7H,5-6,8H2,1-2H3,(H2,17,18,22,23)