3-[phenyl-(2,4,6-trinitrophenyl)amino]propane-1,2-diol

Systemtic Name: 3-[phenyl-(2,4,6-trinitrophenyl)amino]propane-1,2-diol Openeye Name: 3-(N-(2,4,6-trinitrophenyl)anilino)propane-1,2-diol CAS Name: 3-(N-(2,4,6-trinitrophenyl)anilino)propane-1,2-diol IUPAC Name: 3-(N-(2,4,6-trinitrophenyl)anilino)propane-1,2-diol Traditional Name: 3-(N-picrylanilino)propane-1,2-diol Formula: C15H14N4O8 MolecularWeight: 378.29366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC(CO)O)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N(CC(CO)O)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O8/c20-9-12(21)8-16(10-4-2-1-3-5-10)15-13(18(24)25)6-11(17(22)23)7-14(15)19(26)27/h1-7,12,20-21H,8-9H2