3-(2-ethyl-1-methoxy-butyl)-4-methyl-2,6-dinitro-aniline

Systemtic Name: 3-(2-ethyl-1-methoxy-butyl)-4-methyl-2,6-dinitro-aniline Openeye Name: 3-(2-ethyl-1-methoxy-butyl)-4-methyl-2,6-dinitro-aniline CAS Name: 3-(2-ethyl-1-methoxybutyl)-4-methyl-2,6-dinitroaniline IUPAC Name: 3-(2-ethyl-1-methoxybutyl)-4-methyl-2,6-dinitroaniline Traditional Name: [3-(2-ethyl-1-methoxy-butyl)-4-methyl-2,6-dinitro-phenyl]amine Formula: C14H21N3O5 MolecularWeight: 311.33364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(C1=C(C(=C(C=C1C)[N+](=O)[O-])N)[N+](=O)[O-])OC

Isomeric SMILES

CCC(CC)C(C1=C(C(=C(C=C1C)[N+](=O)[O-])N)[N+](=O)[O-])OC

InChI

InChI=1S/C14H21N3O5/c1-5-9(6-2)14(22-4)11-8(3)7-10(16(18)19)12(15)13(11)17(20)21/h7,9,14H,5-6,15H2,1-4H3