N-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-4-methyl-2,6-dinitro-aniline

Systemtic Name: N-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-4-methyl-2,6-dinitro-aniline Openeye Name: N-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-2,6-dinitro-aniline CAS Name: N-[(1,1-dioxo-3-thiolanyl)methyl]-4-methyl-2,6-dinitroaniline IUPAC Name: N-[(1,1-dioxothiolan-3-yl)methyl]-4-methyl-2,6-dinitroaniline Traditional Name: (1,1-diketothiolan-3-yl)methyl-(4-methyl-2,6-dinitro-phenyl)amine Formula: C12H15N3O6S MolecularWeight: 329.329

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NCC2CCS(=O)(=O)C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])NCC2CCS(=O)(=O)C2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O6S/c1-8-4-10(14(16)17)12(11(5-8)15(18)19)13-6-9-2-3-22(20,21)7-9/h4-5,9,13H,2-3,6-7H2,1H3