N-[(4-methoxy-3-nitro-phenyl)methyl]-1,1-bis(oxidanylidene)thiolan-3-amine

Systemtic Name: N-[(4-methoxy-3-nitro-phenyl)methyl]-1,1-bis(oxidanylidene)thiolan-3-amine Openeye Name: N-[(4-methoxy-3-nitro-phenyl)methyl]-1,1-dioxo-thiolan-3-amine CAS Name: N-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dioxo-3-thiolanamine IUPAC Name: N-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dioxothiolan-3-amine Traditional Name: (1,1-diketothiolan-3-yl)-(4-methoxy-3-nitro-benzyl)amine Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2CCS(=O)(=O)C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2CCS(=O)(=O)C2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O5S/c1-19-12-3-2-9(6-11(12)14(15)16)7-13-10-4-5-20(17,18)8-10/h2-3,6,10,13H,4-5,7-8H2,1H3