4,5-dimethylacridine; 1,3,5-trinitrobenzene

Systemtic Name: 4,5-dimethylacridine; 1,3,5-trinitrobenzene Openeye Name: 4,5-dimethylacridine; 1,3,5-trinitrobenzene CAS Name: 4,5-dimethylacridine; 1,3,5-trinitrobenzene IUPAC Name: 4,5-dimethylacridine; 1,3,5-trinitrobenzene Traditional Name: 4,5-dimethylacridine; 1,3,5-trinitrobenzene Formula: C21H16N4O6 MolecularWeight: 420.37494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C3C(=CC=CC3=C2)C.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC2=C1N=C3C(=CC=CC3=C2)C.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H13N.C6H3N3O6/c1-10-5-3-7-12-9-13-8-4-6-11(2)15(13)16-14(10)12;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h3-9H,1-2H3;1-3H