1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3,5-dimethyl-4-nitro-pyrazole

Systemtic Name: 1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3,5-dimethyl-4-nitro-pyrazole Openeye Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3,5-dimethyl-4-nitro-pyrazole CAS Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3,5-dimethyl-4-nitropyrazole IUPAC Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3,5-dimethyl-4-nitropyrazole Traditional Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3,5-dimethyl-4-nitro-pyrazole Formula: C15H16ClN3O4 MolecularWeight: 337.75824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC3=C(C(=C2)Cl)OCCCO3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC3=C(C(=C2)Cl)OCCCO3)C)[N+](=O)[O-]

InChI

InChI=1S/C15H16ClN3O4/c1-9-14(19(20)21)10(2)18(17-9)8-11-6-12(16)15-13(7-11)22-4-3-5-23-15/h6-7H,3-5,8H2,1-2H3