4-ethyl-3-methyl-2,6-dinitro-N-propan-2-yl-aniline; methanol

Systemtic Name: 4-ethyl-3-methyl-2,6-dinitro-N-propan-2-yl-aniline; methanol Openeye Name: 4-ethyl-N-isopropyl-3-methyl-2,6-dinitro-aniline; methanol CAS Name: 4-ethyl-3-methyl-2,6-dinitro-N-propan-2-ylaniline; methanol IUPAC Name: 4-ethyl-3-methyl-2,6-dinitro-N-propan-2-ylaniline; methanol Traditional Name: (4-ethyl-3-methyl-2,6-dinitro-phenyl)-isopropyl-amine; methanol Formula: C13H21N3O5 MolecularWeight: 299.32294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1C)[N+](=O)[O-])NC(C)C)[N+](=O)[O-].CO

Isomeric SMILES

CCC1=CC(=C(C(=C1C)[N+](=O)[O-])NC(C)C)[N+](=O)[O-].CO

InChI

InChI=1S/C12H17N3O4.CH4O/c1-5-9-6-10(14(16)17)11(13-7(2)3)12(8(9)4)15(18)19;1-2/h6-7,13H,5H2,1-4H3;2H,1H3