propan-2-yl 4-[(2-fluorophenyl)methylsulfonyl]-3-nitro-benzoate

Systemtic Name: propan-2-yl 4-[(2-fluorophenyl)methylsulfonyl]-3-nitro-benzoate Openeye Name: isopropyl 4-[(2-fluorophenyl)methylsulfonyl]-3-nitro-benzoate CAS Name: 4-[(2-fluorophenyl)methylsulfonyl]-3-nitrobenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(2-fluorophenyl)methylsulfonyl]-3-nitrobenzoate Traditional Name: 4-(2-fluorobenzyl)sulfonyl-3-nitro-benzoic acid isopropyl ester Formula: C17H16FNO6S MolecularWeight: 381.375443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=C(C=C1)S(=O)(=O)CC2=CC=CC=C2F)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C1=CC(=C(C=C1)S(=O)(=O)CC2=CC=CC=C2F)[N+](=O)[O-]

InChI

InChI=1S/C17H16FNO6S/c1-11(2)25-17(20)12-7-8-16(15(9-12)19(21)22)26(23,24)10-13-5-3-4-6-14(13)18/h3-9,11H,10H2,1-2H3