methyl 2-[[3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazol-4-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazol-4-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazol-4-yl]sulfanyl]acetate CAS Name: 2-[[3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazol-4-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazol-4-yl]sulfanyl]acetate Traditional Name: 2-[[3-(1,3-dioxolan-2-yl)-6-nitro-indoxazen-4-yl]thio]acetic acid methyl ester Formula: C13H12N2O7S MolecularWeight: 340.30858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=CC(=CC2=C1C(=NO2)C3OCCO3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=CC(=CC2=C1C(=NO2)C3OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O7S/c1-19-10(16)6-23-9-5-7(15(17)18)4-8-11(9)12(14-22-8)13-20-2-3-21-13/h4-5,13H,2-3,6H2,1H3