methyl 3-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(1,1-dioxothiolan-3-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(1,1-dioxo-3-thiolanyl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(1,1-dioxothiolan-3-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(1,1-diketothiolan-3-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C13H14N2O7S MolecularWeight: 342.32446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2CCS(=O)(=O)C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2CCS(=O)(=O)C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O7S/c1-22-13(17)9-4-8(5-11(6-9)15(18)19)12(16)14-10-2-3-23(20,21)7-10/h4-6,10H,2-3,7H2,1H3,(H,14,16)