N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C16H17ClN4O5 MolecularWeight: 380.78298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC3=C(C=C2Cl)OCCCO3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC3=C(C=C2Cl)OCCCO3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H17ClN4O5/c1-9-16(21(23)24)10(2)20(19-9)8-15(22)18-12-7-14-13(6-11(12)17)25-4-3-5-26-14/h6-7H,3-5,8H2,1-2H3,(H,18,22)