N-butyl-N-ethyl-4-methylsulfonyl-2,6-dinitro-aniline

Systemtic Name: N-butyl-N-ethyl-4-methylsulfonyl-2,6-dinitro-aniline Openeye Name: N-butyl-N-ethyl-4-methylsulfonyl-2,6-dinitro-aniline CAS Name: N-butyl-N-ethyl-4-methylsulfonyl-2,6-dinitroaniline IUPAC Name: N-butyl-N-ethyl-4-methylsulfonyl-2,6-dinitroaniline Traditional Name: butyl-ethyl-(4-mesyl-2,6-dinitro-phenyl)amine Formula: C13H19N3O6S MolecularWeight: 345.37146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O6S/c1-4-6-7-14(5-2)13-11(15(17)18)8-10(23(3,21)22)9-12(13)16(19)20/h8-9H,4-7H2,1-3H3