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

Systemtic Name: ethyl 3-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(1,1-dioxothiolan-3-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(1,1-dioxo-3-thiolanyl)amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(1,1-dioxothiolan-3-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(1,1-diketothiolan-3-yl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C14H16N2O7S MolecularWeight: 356.35104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O7S/c1-2-23-14(18)10-5-9(6-12(7-10)16(19)20)13(17)15-11-3-4-24(21,22)8-11/h5-7,11H,2-4,8H2,1H3,(H,15,17)