4-(2-methylquinolin-7-yl)butan-2-one; 2,4,6-trinitrophenol

Systemtic Name: 4-(2-methylquinolin-7-yl)butan-2-one; 2,4,6-trinitrophenol Openeye Name: 4-(2-methyl-7-quinolyl)butan-2-one; picric acid CAS Name: 4-(2-methyl-7-quinolinyl)-2-butanone; 2,4,6-trinitrophenol IUPAC Name: 4-(2-methylquinolin-7-yl)butan-2-one; 2,4,6-trinitrophenol Traditional Name: 4-(2-methyl-7-quinolyl)butan-2-one; picric acid Formula: C20H18N4O8 MolecularWeight: 442.37892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=CC(=C2)CCC(=O)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C=CC(=C2)CCC(=O)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H15NO.C6H3N3O7/c1-10-3-7-13-8-6-12(5-4-11(2)16)9-14(13)15-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3,6-9H,4-5H2,1-2H3;1-2,10H