1-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,5-dimethyl-4-nitro-pyrazole

Systemtic Name: 1-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,5-dimethyl-4-nitro-pyrazole Openeye Name: 1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,5-dimethyl-4-nitro-pyrazole CAS Name: 1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,5-dimethyl-4-nitropyrazole IUPAC Name: 1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,5-dimethyl-4-nitropyrazole Traditional Name: 1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-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=CC3=C(C(=C2)Cl)OCCO3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC3=C(C(=C2)Cl)OCCO3)C)[N+](=O)[O-]

InChI

InChI=1S/C14H14ClN3O4/c1-8-13(18(19)20)9(2)17(16-8)7-10-5-11(15)14-12(6-10)21-3-4-22-14/h5-6H,3-4,7H2,1-2H3