2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-quinoline; 2,4,6-trinitrophenol

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-quinoline; 2,4,6-trinitrophenol Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-quinoline; picric acid CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline; 2,4,6-trinitrophenol IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline; 2,4,6-trinitrophenol Traditional Name: 2-homoveratryl-4-methoxy-quinoline; picric acid Formula: C26H24N4O10 MolecularWeight: 552.48956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC2=NC3=CC=CC=C3C(=C2)OC)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CCC2=NC3=CC=CC=C3C(=C2)OC)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H21NO3.C6H3N3O7/c1-22-18-11-9-14(12-20(18)24-3)8-10-15-13-19(23-2)16-6-4-5-7-17(16)21-15;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-7,9,11-13H,8,10H2,1-3H3;1-2,10H