2-[[(3R)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]carbamoylamino]-4-nitro-phenolate

Systemtic Name: 2-[[(3R)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]carbamoylamino]-4-nitro-phenolate Openeye Name: 2-[[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]carbamoylamino]-4-nitro-phenolate CAS Name: 2-[[[[(3R)-3-methyl-1,1-dioxo-3-thiolanyl]amino]-oxomethyl]amino]-4-nitrophenolate IUPAC Name: 2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]carbamoylamino]-4-nitrophenolate Traditional Name: 2-[[(3R)-1,1-diketo-3-methyl-thiolan-3-yl]carbamoylamino]-4-nitro-phenolate Formula: C12H14N3O6S- MolecularWeight: 328.32106

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C[C@]1(CCS(=O)(=O)C1)NC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H15N3O6S/c1-12(4-5-22(20,21)7-12)14-11(17)13-9-6-8(15(18)19)2-3-10(9)16/h2-3,6,16H,4-5,7H2,1H3,(H2,13,14,17)/p-1/t12-/m1/s1