3-chloranylaniline; 2,4,6-trinitrophenol

Systemtic Name: 3-chloranylaniline; 2,4,6-trinitrophenol Openeye Name: 3-chloroaniline; picric acid CAS Name: 3-chloroaniline; 2,4,6-trinitrophenol IUPAC Name: 3-chloroaniline; 2,4,6-trinitrophenol Traditional Name: (3-chlorophenyl)amine; picric acid Formula: C12H9ClN4O7 MolecularWeight: 356.67546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6ClN.C6H3N3O7/c7-5-2-1-3-6(8)4-5;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-4H,8H2;1-2,10H