1-(7-ethanoyl-2,8-dimethyl-pyrido[3,2-g]quinolin-3-yl)ethanone; 2,4,6-trinitrophenol

Systemtic Name: 1-(7-ethanoyl-2,8-dimethyl-pyrido[3,2-g]quinolin-3-yl)ethanone; 2,4,6-trinitrophenol Openeye Name: 1-(7-acetyl-2,8-dimethyl-pyrido[3,2-g]quinolin-3-yl)ethanone; picric acid CAS Name: 1-(7-acetyl-2,8-dimethyl-3-pyrido[3,2-g]quinolinyl)ethanone; 2,4,6-trinitrophenol IUPAC Name: 1-(7-acetyl-2,8-dimethylpyrido[3,2-g]quinolin-3-yl)ethanone; 2,4,6-trinitrophenol Traditional Name: 1-(7-acetyl-2,8-dimethyl-pyrido[3,2-g]quinolin-3-yl)ethanone; picric acid Formula: C30H22N8O16 MolecularWeight: 750.53968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C3C=C(C(=NC3=CC2=N1)C)C(=O)C)C(=O)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C2C=C3C=C(C(=NC3=CC2=N1)C)C(=O)C)C(=O)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O2.2C6H3N3O7/c1-9-15(11(3)21)6-13-5-14-7-16(12(4)22)10(2)20-18(14)8-17(13)19-9;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-8H,1-4H3;2*1-2,10H