methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-nitro-benzoate

Systemtic Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-nitro-benzoate Openeye Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-nitro-benzoate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-nitrobenzoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-5-nitro-benzoic acid methyl ester Formula: C16H13NO6S MolecularWeight: 347.34252

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H13NO6S/c1-21-16(18)12-8-10(17(19)20)2-5-15(12)24-11-3-4-13-14(9-11)23-7-6-22-13/h2-5,8-9H,6-7H2,1H3