N-[(2-methyl-3-nitro-phenyl)methyl]-1,1-bis(oxidanylidene)thiolan-3-amine

Systemtic Name: N-[(2-methyl-3-nitro-phenyl)methyl]-1,1-bis(oxidanylidene)thiolan-3-amine Openeye Name: N-[(2-methyl-3-nitro-phenyl)methyl]-1,1-dioxo-thiolan-3-amine CAS Name: N-[(2-methyl-3-nitrophenyl)methyl]-1,1-dioxo-3-thiolanamine IUPAC Name: N-[(2-methyl-3-nitrophenyl)methyl]-1,1-dioxothiolan-3-amine Traditional Name: (1,1-diketothiolan-3-yl)-(2-methyl-3-nitro-benzyl)amine Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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