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

Systemtic Name: N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine; 3-methyl-2,4,6-trinitro-phenol Openeye Name: N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine; 3-methyl-2,4,6-trinitro-phenol CAS Name: N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine; 3-methyl-2,4,6-trinitrophenol IUPAC Name: N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine; 3-methyl-2,4,6-trinitrophenol Traditional Name: methyl-[2-(3,4,5-trimethoxyphenyl)ethyl]amine; 3-methyl-2,4,6-trinitro-phenol Formula: C19H24N4O10 MolecularWeight: 468.41466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O)[N+](=O)[O-].CNCCC1=CC(=C(C(=C1)OC)OC)OC

Isomeric SMILES

CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O)[N+](=O)[O-].CNCCC1=CC(=C(C(=C1)OC)OC)OC

InChI

InChI=1S/C12H19NO3.C7H5N3O7/c1-13-6-5-9-7-10(14-2)12(16-4)11(8-9)15-3;1-3-4(8(12)13)2-5(9(14)15)7(11)6(3)10(16)17/h7-8,13H,5-6H2,1-4H3;2,11H,1H3