N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-4-(methylamino)-3-nitro-benzamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-4-(methylamino)-3-nitro-benzamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-N-methyl-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-N-methyl-4-(methylamino)-3-nitro-benzamide Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)N(C)C2CCS(=O)(=O)C2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5S/c1-14-11-4-3-9(7-12(11)16(18)19)13(17)15(2)10-5-6-22(20,21)8-10/h3-4,7,10,14H,5-6,8H2,1-2H3/t10-/m0/s1