[4-[(4-chlorophenyl)amino]-1,1-bis(oxidanylidene)thiolan-3-yl] 4-nitrobenzoate

Systemtic Name: [4-[(4-chlorophenyl)amino]-1,1-bis(oxidanylidene)thiolan-3-yl] 4-nitrobenzoate Openeye Name: [4-(4-chloroanilino)-1,1-dioxo-thiolan-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-(4-chloroanilino)-1,1-dioxo-3-thiolanyl] ester IUPAC Name: [4-(4-chloroanilino)-1,1-dioxothiolan-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-(4-chloroanilino)-1,1-diketo-thiolan-3-yl] ester Formula: C17H15ClN2O6S MolecularWeight: 410.8288

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CS1(=O)=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1C(C(CS1(=O)=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN2O6S/c18-12-3-5-13(6-4-12)19-15-9-27(24,25)10-16(15)26-17(21)11-1-7-14(8-2-11)20(22)23/h1-8,15-16,19H,9-10H2