1-(3-methyl-3-nitro-butyl)-4-nitro-benzene

Systemtic Name: 1-(3-methyl-3-nitro-butyl)-4-nitro-benzene Openeye Name: 1-(3-methyl-3-nitro-butyl)-4-nitro-benzene CAS Name: 1-(3-methyl-3-nitrobutyl)-4-nitrobenzene IUPAC Name: 1-(3-methyl-3-nitrobutyl)-4-nitrobenzene Traditional Name: 1-(3-methyl-3-nitro-butyl)-4-nitro-benzene Formula: C11H14N2O4 MolecularWeight: 238.23986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1=CC=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(CCC1=CC=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O4/c1-11(2,13(16)17)8-7-9-3-5-10(6-4-9)12(14)15/h3-6H,7-8H2,1-2H3