N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine; 2,4,6-trinitrophenol

Systemtic Name: N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine; 2,4,6-trinitrophenol Openeye Name: N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine; picric acid CAS Name: N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine; 2,4,6-trinitrophenol IUPAC Name: N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine; 2,4,6-trinitrophenol Traditional Name: methyl-[2-(3,4,5-trimethoxyphenyl)ethyl]amine; picric acid Formula: C18H22N4O10 MolecularWeight: 454.38808

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC1=CC(=C(C(=C1)OC)OC)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CNCCC1=CC(=C(C(=C1)OC)OC)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H19NO3.C6H3N3O7/c1-13-6-5-9-7-10(14-2)12(16-4)11(8-9)15-3;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h7-8,13H,5-6H2,1-4H3;1-2,10H