2-methyl-1,3,5-trinitro-benzene

Systemtic Name: 2-methyl-1,3,5-trinitro-benzene Openeye Name: 2-methyl-1,3,5-trinitro-benzene CAS Name: 2-methyl-1,3,5-trinitrobenzene IUPAC Name: 2-methyl-1,3,5-trinitrobenzene Traditional Name: 2-methyl-1,3,5-trinitro-benzene Formula: C7H5N3O6 MolecularWeight: 239.086352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[14C]1=[14C]([14CH]=[14C]([14CH]=[14C]1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3/i2+2,3+2,4+2,5+2,6+2,7+2