aniline; 2,4,6-trinitrophenol

Systemtic Name: aniline; 2,4,6-trinitrophenol Openeye Name: aniline; picric acid CAS Name: aniline; 2,4,6-trinitrophenol IUPAC Name: aniline; 2,4,6-trinitrophenol Traditional Name: phenylamine; picric acid Formula: C12H10N4O7 MolecularWeight: 322.2304

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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-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C6H3N3O7.C6H7N/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;7-6-4-2-1-3-5-6/h1-2,10H;1-5H,7H2