[4-(dipropylamino)-1,1-bis(oxidanylidene)thiolan-3-yl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [4-(dipropylamino)-1,1-bis(oxidanylidene)thiolan-3-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [4-(dipropylamino)-1,1-dioxo-thiolan-3-yl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [4-(dipropylamino)-1,1-dioxo-3-thiolanyl] ester IUPAC Name: [4-(dipropylamino)-1,1-dioxothiolan-3-yl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [4-(dipropylamino)-1,1-diketo-thiolan-3-yl] ester Formula: C17H23ClN2O6S MolecularWeight: 418.89232

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1CS(=O)(=O)CC1OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCN(CCC)C1CS(=O)(=O)CC1OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H23ClN2O6S/c1-3-7-19(8-4-2)15-10-27(24,25)11-16(15)26-17(21)12-5-6-13(18)14(9-12)20(22)23/h5-6,9,15-16H,3-4,7-8,10-11H2,1-2H3