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

Systemtic Name: 1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-4-nitro-pyrazole Openeye Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-4-nitro-pyrazole CAS Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-4-nitropyrazole IUPAC Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-4-nitropyrazole Traditional Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3,5-dimethyl-4-nitro-pyrazole Formula: C14H14ClN3O4 MolecularWeight: 323.73166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C3C(=CC(=C2)Cl)COCO3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=C3C(=CC(=C2)Cl)COCO3)C)[N+](=O)[O-]

InChI

InChI=1S/C14H14ClN3O4/c1-8-13(18(19)20)9(2)17(16-8)5-10-3-12(15)4-11-6-21-7-22-14(10)11/h3-4H,5-7H2,1-2H3