methyl 2-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-5-nitro-benzoate

Systemtic Name: methyl 2-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-5-nitro-benzoate Openeye Name: methyl 2-[(1,1-dioxothiolan-3-yl)amino]-5-nitro-benzoate CAS Name: 2-[(1,1-dioxo-3-thiolanyl)amino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(1,1-dioxothiolan-3-yl)amino]-5-nitrobenzoate Traditional Name: 2-[(1,1-diketothiolan-3-yl)amino]-5-nitro-benzoic acid methyl ester Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6S/c1-20-12(15)10-6-9(14(16)17)2-3-11(10)13-8-4-5-21(18,19)7-8/h2-3,6,8,13H,4-5,7H2,1H3