1-methyl-2,3-dinitro-benzene; 1,2,3-trinitrobenzene

Systemtic Name: 1-methyl-2,3-dinitro-benzene; 1,2,3-trinitrobenzene Openeye Name: 1-methyl-2,3-dinitro-benzene; 1,2,3-trinitrobenzene CAS Name: 1-methyl-2,3-dinitrobenzene; 1,2,3-trinitrobenzene IUPAC Name: 1-methyl-2,3-dinitrobenzene; 1,2,3-trinitrobenzene Traditional Name: 1-methyl-2,3-dinitro-benzene; 1,2,3-trinitrobenzene Formula: C13H9N5O10 MolecularWeight: 395.23806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6N2O4.C6H3N3O6/c1-5-3-2-4-6(8(10)11)7(5)9(12)13;10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h2-4H,1H3;1-3H