ethyl 2-methylquinoline-3-carboxylate; 2,4,6-trinitrophenol

Systemtic Name: ethyl 2-methylquinoline-3-carboxylate; 2,4,6-trinitrophenol Openeye Name: ethyl 2-methylquinoline-3-carboxylate; picric acid CAS Name: 2-methyl-3-quinolinecarboxylic acid ethyl ester; 2,4,6-trinitrophenol IUPAC Name: ethyl 2-methylquinoline-3-carboxylate; 2,4,6-trinitrophenol Traditional Name: 2-methylquinoline-3-carboxylic acid ethyl ester; picric acid Formula: C19H16N4O9 MolecularWeight: 444.35174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=CC=CC=C2N=C1C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC2=CC=CC=C2N=C1C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13NO2.C6H3N3O7/c1-3-16-13(15)11-8-10-6-4-5-7-12(10)14-9(11)2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-8H,3H2,1-2H3;1-2,10H