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

Systemtic Name: methyl 3-[[1,1-bis(oxidanylidene)thiolan-3-yl]-(dimethylamino)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[dimethylamino-(1,1-dioxothiolan-3-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[dimethylamino-(1,1-dioxo-3-thiolanyl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[dimethylamino-(1,1-dioxothiolan-3-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(1,1-diketothiolan-3-yl)-(dimethylamino)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C15H19N3O7S MolecularWeight: 385.39226

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)N(C1CCS(=O)(=O)C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN(C)N(C1CCS(=O)(=O)C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H19N3O7S/c1-16(2)17(12-4-5-26(23,24)9-12)14(19)10-6-11(15(20)25-3)8-13(7-10)18(21)22/h6-8,12H,4-5,9H2,1-3H3