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

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 5-chloranyl-2-nitro-benzoate Openeye Name: [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl] 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid [2-[(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid [2-[(1,1-diketothiolan-3-yl)amino]-2-keto-ethyl] ester Formula: C13H13ClN2O7S MolecularWeight: 376.76952

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H13ClN2O7S/c14-8-1-2-11(16(19)20)10(5-8)13(18)23-6-12(17)15-9-3-4-24(21,22)7-9/h1-2,5,9H,3-4,6-7H2,(H,15,17)