(1-methylpyridin-1-ium-2-yl)methyl ethanoate; 2,4,6-trinitrophenolate

Systemtic Name: (1-methylpyridin-1-ium-2-yl)methyl ethanoate; 2,4,6-trinitrophenolate Openeye Name: (1-methylpyridin-1-ium-2-yl)methyl acetate; 2,4,6-trinitrophenolate CAS Name: acetic acid (1-methyl-2-pyridin-1-iumyl)methyl ester; 2,4,6-trinitrophenolate IUPAC Name: (1-methylpyridin-1-ium-2-yl)methyl acetate; 2,4,6-trinitrophenolate Traditional Name: acetic acid (1-methylpyridin-1-ium-2-yl)methyl ester picrate Formula: C15H14N4O9 MolecularWeight: 394.29306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=CC=[N+]1C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCC1=CC=CC=[N+]1C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H12NO2.C6H3N3O7/c1-8(11)12-7-9-5-3-4-6-10(9)2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6H,7H2,1-2H3;1-2,10H/q+1;/p-1