1-methyl-2,3,4-trinitro-benzene

Systemtic Name: 1-methyl-2,3,4-trinitro-benzene Openeye Name: 1-methyl-2,3,4-trinitro-benzene CAS Name: 1-methyl-2,3,4-trinitrobenzene IUPAC Name: 1-methyl-2,3,4-trinitrobenzene Traditional Name: 1-methyl-2,3,4-trinitro-benzene Formula: C7H5N3O6 MolecularWeight: 227.1311

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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