3-(aminomethyl)-6-methyl-2-oxidanylidene-1H-pyridine-4-carboxylic acid; 2,4,6-trinitrophenol

Systemtic Name: 3-(aminomethyl)-6-methyl-2-oxidanylidene-1H-pyridine-4-carboxylic acid; 2,4,6-trinitrophenol Openeye Name: 3-(aminomethyl)-6-methyl-2-oxo-1H-pyridine-4-carboxylic acid; picric acid CAS Name: 3-(aminomethyl)-6-methyl-2-oxo-1H-pyridine-4-carboxylic acid; 2,4,6-trinitrophenol IUPAC Name: 3-(aminomethyl)-6-methyl-2-oxo-1H-pyridine-4-carboxylic acid; 2,4,6-trinitrophenol Traditional Name: 3-(aminomethyl)-2-keto-6-methyl-1H-pyridine-4-carboxylic acid; picric acid Formula: C14H13N5O10 MolecularWeight: 411.28052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1)CN)C(=O)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=O)N1)CN)C(=O)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H10N2O3.C6H3N3O7/c1-4-2-5(8(12)13)6(3-9)7(11)10-4;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2H,3,9H2,1H3,(H,10,11)(H,12,13);1-2,10H