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

Systemtic Name: 1-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-4-nitro-pyrazole Openeye Name: 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-4-nitro-pyrazole CAS Name: 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-4-nitropyrazole IUPAC Name: 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-4-nitropyrazole Traditional Name: 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-4-nitro-pyrazole Formula: C13H12ClN3O4 MolecularWeight: 309.70508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC3=C(C(=C2)Cl)OCO3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC3=C(C(=C2)Cl)OCO3)C)[N+](=O)[O-]

InChI

InChI=1S/C13H12ClN3O4/c1-7-12(17(18)19)8(2)16(15-7)5-9-3-10(14)13-11(4-9)20-6-21-13/h3-4H,5-6H2,1-2H3