2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-5-nitro-benzaldehyde

Systemtic Name: 2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-5-nitro-benzaldehyde Openeye Name: 2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-5-nitro-benzaldehyde CAS Name: 2-[(1,1-dioxo-3-thiolanyl)-methylamino]-5-nitrobenzaldehyde IUPAC Name: 2-[(1,1-dioxothiolan-3-yl)-methylamino]-5-nitrobenzaldehyde Traditional Name: 2-[(1,1-diketothiolan-3-yl)-methyl-amino]-5-nitro-benzaldehyde Formula: C12H14N2O5S MolecularWeight: 298.31496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C2=C(C=C(C=C2)[N+](=O)[O-])C=O

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C2=C(C=C(C=C2)[N+](=O)[O-])C=O

InChI

InChI=1S/C12H14N2O5S/c1-13(11-4-5-20(18,19)8-11)12-3-2-10(14(16)17)6-9(12)7-15/h2-3,6-7,11H,4-5,8H2,1H3