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

Systemtic Name: N-[(4-methyl-3-nitro-phenyl)methyl]-1,1-bis(oxidanylidene)thiolan-3-amine Openeye Name: N-[(4-methyl-3-nitro-phenyl)methyl]-1,1-dioxo-thiolan-3-amine CAS Name: N-[(4-methyl-3-nitrophenyl)methyl]-1,1-dioxo-3-thiolanamine IUPAC Name: N-[(4-methyl-3-nitrophenyl)methyl]-1,1-dioxothiolan-3-amine Traditional Name: (1,1-diketothiolan-3-yl)-(4-methyl-3-nitro-benzyl)amine Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2CCS(=O)(=O)C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2CCS(=O)(=O)C2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O4S/c1-9-2-3-10(6-12(9)14(15)16)7-13-11-4-5-19(17,18)8-11/h2-3,6,11,13H,4-5,7-8H2,1H3