2-(4-chlorophenyl)sulfanylethyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C17H14ClNO6S MolecularWeight: 395.81416

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14ClNO6S/c18-11-1-3-12(4-2-11)26-8-7-25-17(20)13-9-15-16(24-6-5-23-15)10-14(13)19(21)22/h1-4,9-10H,5-8H2