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

Systemtic Name: N-ethyl-4-methylsulfonyl-2,6-dinitro-aniline Openeye Name: N-ethyl-4-methylsulfonyl-2,6-dinitro-aniline CAS Name: N-ethyl-4-methylsulfonyl-2,6-dinitroaniline IUPAC Name: N-ethyl-4-methylsulfonyl-2,6-dinitroaniline Traditional Name: ethyl-(4-mesyl-2,6-dinitro-phenyl)amine Formula: C9H11N3O6S MolecularWeight: 289.26514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C9H11N3O6S/c1-3-10-9-7(11(13)14)4-6(19(2,17)18)5-8(9)12(15)16/h4-5,10H,3H2,1-2H3