(2-nitrophenyl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: (2-nitrophenyl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: (2-nitrophenyl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid (2-nitrobenzyl) ester Formula: C18H17NO8S MolecularWeight: 407.39448

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)OCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)OCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H17NO8S/c20-18(27-12-13-3-1-2-4-15(13)19(21)22)7-10-28(23,24)14-5-6-16-17(11-14)26-9-8-25-16/h1-6,11H,7-10,12H2