2-(2-fluorophenyl)sulfanylethyl 4-azanyl-3-nitro-benzoate

Systemtic Name: 2-(2-fluorophenyl)sulfanylethyl 4-azanyl-3-nitro-benzoate Openeye Name: 2-(2-fluorophenyl)sulfanylethyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid 2-[(2-fluorophenyl)thio]ethyl ester IUPAC Name: 2-(2-fluorophenyl)sulfanylethyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid 2-[(2-fluorophenyl)thio]ethyl ester Formula: C15H13FN2O4S MolecularWeight: 336.338123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)F)SCCOC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)F)SCCOC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C15H13FN2O4S/c16-11-3-1-2-4-14(11)23-8-7-22-15(19)10-5-6-12(17)13(9-10)18(20)21/h1-6,9H,7-8,17H2