4-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-3-nitro-benzaldehyde

Systemtic Name: 4-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-3-nitro-benzaldehyde Openeye Name: 4-[(1,1-dioxothiolan-3-yl)-methyl-amino]-3-nitro-benzaldehyde CAS Name: 4-[(1,1-dioxo-3-thiolanyl)-methylamino]-3-nitrobenzaldehyde IUPAC Name: 4-[(1,1-dioxothiolan-3-yl)-methylamino]-3-nitrobenzaldehyde Traditional Name: 4-[(1,1-diketothiolan-3-yl)-methyl-amino]-3-nitro-benzaldehyde Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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