1-methyl-2,4,5-trinitro-benzene

Systemtic Name: 1-methyl-2,4,5-trinitro-benzene Openeye Name: 1-methyl-2,4,5-trinitro-benzene CAS Name: 1-methyl-2,4,5-trinitrobenzene IUPAC Name: 1-methyl-2,4,5-trinitrobenzene Traditional Name: 1-methyl-2,4,5-trinitro-benzene Formula: C7H5N3O6 MolecularWeight: 227.1311

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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