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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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