1-methylindole; 1,3,5-trinitrobenzene

Systemtic Name: 1-methylindole; 1,3,5-trinitrobenzene Openeye Name: 1-methylindole; 1,3,5-trinitrobenzene CAS Name: 1-methylindole; 1,3,5-trinitrobenzene IUPAC Name: 1-methylindole; 1,3,5-trinitrobenzene Traditional Name: 1-methylindole; 1,3,5-trinitrobenzene Formula: C15H12N4O6 MolecularWeight: 344.27898

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=CC=CC=C21.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C=CC2=CC=CC=C21.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H9N.C6H3N3O6/c1-10-7-6-8-4-2-3-5-9(8)10;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h2-7H,1H3;1-3H