[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(3-chloro-4-fluoroanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl] ester Formula: C19H12ClFN2O6S MolecularWeight: 450.824783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H12ClFN2O6S/c20-17-10-13(6-9-18(17)21)22-19(24)12-4-7-15(8-5-12)29-30(27,28)16-3-1-2-14(11-16)23(25)26/h1-11H,(H,22,24)