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

Systemtic Name: methyl 3-[[3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazol-4-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazol-4-yl]sulfanyl]propanoate CAS Name: 3-[[3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazol-4-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazol-4-yl]sulfanyl]propanoate Traditional Name: 3-[[3-(1,3-dioxolan-2-yl)-6-nitro-indoxazen-4-yl]thio]propionic acid methyl ester Formula: C14H14N2O7S MolecularWeight: 354.33516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=CC(=CC2=C1C(=NO2)C3OCCO3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCSC1=CC(=CC2=C1C(=NO2)C3OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O7S/c1-20-11(17)2-5-24-10-7-8(16(18)19)6-9-12(10)13(15-23-9)14-21-3-4-22-14/h6-7,14H,2-5H2,1H3