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

Systemtic Name: N-butan-2-yl-4-ethyl-3-methyl-2,6-dinitro-aniline; methanol Openeye Name: 4-ethyl-3-methyl-2,6-dinitro-N-sec-butyl-aniline; methanol CAS Name: N-butan-2-yl-4-ethyl-3-methyl-2,6-dinitroaniline; methanol IUPAC Name: N-butan-2-yl-4-ethyl-3-methyl-2,6-dinitroaniline; methanol Traditional Name: (4-ethyl-3-methyl-2,6-dinitro-phenyl)-sec-butyl-amine; methanol Formula: C14H23N3O5 MolecularWeight: 313.34952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4.CH4O/c1-5-8(3)14-12-11(15(17)18)7-10(6-2)9(4)13(12)16(19)20;1-2/h7-8,14H,5-6H2,1-4H3;2H,1H3