[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopentyl-amino]-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopentyl-amino]-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-[cyclopentyl-(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-[cyclopentyl-(1,1-diketothiolan-3-yl)amino]-2-keto-ethyl] ester Formula: C18H21ClN2O7S MolecularWeight: 444.88654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(C2CCS(=O)(=O)C2)C(=O)COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCC(C1)N(C2CCS(=O)(=O)C2)C(=O)COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H21ClN2O7S/c19-16-9-13(21(24)25)5-6-15(16)18(23)28-10-17(22)20(12-3-1-2-4-12)14-7-8-29(26,27)11-14/h5-6,9,12,14H,1-4,7-8,10-11H2