aniline; 1,3,5-trinitrobenzene

Systemtic Name: aniline; 1,3,5-trinitrobenzene Openeye Name: aniline; 1,3,5-trinitrobenzene CAS Name: aniline; 1,3,5-trinitrobenzene IUPAC Name: aniline; 1,3,5-trinitrobenzene Traditional Name: phenylamine; 1,3,5-trinitrobenzene Formula: C12H10N4O6 MolecularWeight: 306.231

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H3N3O6.C6H7N/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;7-6-4-2-1-3-5-6/h1-3H;1-5H,7H2