N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC3=C(C=C2)OCCCO3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC3=C(C=C2)OCCCO3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5/c1-10-16(20(22)23)11(2)19(18-10)9-15(21)17-12-4-5-13-14(8-12)25-7-3-6-24-13/h4-5,8H,3,6-7,9H2,1-2H3,(H,17,21)