2-[4-(2-aminophenyl)buta-1,3-diynyl]aniline; 2,4,6-trinitrophenol

Systemtic Name: 2-[4-(2-aminophenyl)buta-1,3-diynyl]aniline; 2,4,6-trinitrophenol Openeye Name: 2-[4-(2-aminophenyl)buta-1,3-diynyl]aniline; picric acid CAS Name: 2-[4-(2-aminophenyl)buta-1,3-diynyl]aniline; 2,4,6-trinitrophenol IUPAC Name: 2-[4-(2-aminophenyl)buta-1,3-diynyl]aniline; 2,4,6-trinitrophenol Traditional Name: [2-[4-(2-aminophenyl)buta-1,3-diynyl]phenyl]amine; picric acid Formula: C28H18N8O14 MolecularWeight: 690.48772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#CC#CC2=CC=CC=C2N)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C#CC#CC2=CC=CC=C2N)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12N2.2C6H3N3O7/c17-15-11-5-3-9-13(15)7-1-2-8-14-10-4-6-12-16(14)18;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6,9-12H,17-18H2;2*1-2,10H