N-butan-2-yl-3-chloranyl-4-methyl-2,6-dinitro-aniline

Systemtic Name: N-butan-2-yl-3-chloranyl-4-methyl-2,6-dinitro-aniline Openeye Name: 3-chloro-4-methyl-2,6-dinitro-N-sec-butyl-aniline CAS Name: N-butan-2-yl-3-chloro-4-methyl-2,6-dinitroaniline IUPAC Name: N-butan-2-yl-3-chloro-4-methyl-2,6-dinitroaniline Traditional Name: (3-chloro-4-methyl-2,6-dinitro-phenyl)-sec-butyl-amine Formula: C11H14ClN3O4 MolecularWeight: 287.69956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C=C(C(=C1[N+](=O)[O-])Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC1=C(C=C(C(=C1[N+](=O)[O-])Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C11H14ClN3O4/c1-4-7(3)13-10-8(14(16)17)5-6(2)9(12)11(10)15(18)19/h5,7,13H,4H2,1-3H3