[4-[(4-chloranyl-2-fluoranyl-phenyl)carbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [4-[(4-chloranyl-2-fluoranyl-phenyl)carbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [4-[(4-chloro-2-fluoro-phenyl)carbamoyl]phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [4-[(4-chloro-2-fluoroanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(4-chloro-2-fluorophenyl)carbamoyl]phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [4-[(4-chloro-2-fluoro-phenyl)carbamoyl]phenyl] ester Formula: C20H14ClFN2O6S MolecularWeight: 464.851363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C20H14ClFN2O6S/c1-12-2-6-15(24(26)27)11-19(12)31(28,29)30-16-7-3-13(4-8-16)20(25)23-18-9-5-14(21)10-17(18)22/h2-11H,1H3,(H,23,25)