5-(1-chloranyl-2-methyl-2-nitro-propyl)-1,3-benzodioxole

Systemtic Name: 5-(1-chloranyl-2-methyl-2-nitro-propyl)-1,3-benzodioxole Openeye Name: 5-(1-chloro-2-methyl-2-nitro-propyl)-1,3-benzodioxole CAS Name: 5-(1-chloro-2-methyl-2-nitropropyl)-1,3-benzodioxole IUPAC Name: 5-(1-chloro-2-methyl-2-nitropropyl)-1,3-benzodioxole Traditional Name: 5-(1-chloro-2-methyl-2-nitro-propyl)-1,3-benzodioxole Formula: C11H12ClNO4 MolecularWeight: 257.67028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C1=CC2=C(C=C1)OCO2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(C1=CC2=C(C=C1)OCO2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H12ClNO4/c1-11(2,13(14)15)10(12)7-3-4-8-9(5-7)17-6-16-8/h3-5,10H,6H2,1-2H3