(2,4,6-trinitrophenyl) 2-(2,3-dimethyl-1H-indol-5-yl)ethanoate

Systemtic Name: (2,4,6-trinitrophenyl) 2-(2,3-dimethyl-1H-indol-5-yl)ethanoate Openeye Name: (2,4,6-trinitrophenyl) 2-(2,3-dimethyl-1H-indol-5-yl)acetate CAS Name: 2-(2,3-dimethyl-1H-indol-5-yl)acetic acid (2,4,6-trinitrophenyl) ester IUPAC Name: (2,4,6-trinitrophenyl) 2-(2,3-dimethyl-1H-indol-5-yl)acetate Traditional Name: 2-(2,3-dimethyl-1H-indol-5-yl)acetic acid picryl ester Formula: C18H14N4O8 MolecularWeight: 414.32576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)CC(=O)OC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)CC(=O)OC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C18H14N4O8/c1-9-10(2)19-14-4-3-11(5-13(9)14)6-17(23)30-18-15(21(26)27)7-12(20(24)25)8-16(18)22(28)29/h3-5,7-8,19H,6H2,1-2H3