1,3-benzodioxol-5-yl 3-nitrobenzoate

Systemtic Name: 1,3-benzodioxol-5-yl 3-nitrobenzoate Openeye Name: 1,3-benzodioxol-5-yl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 1,3-benzodioxol-5-yl ester Formula: C14H9NO6 MolecularWeight: 287.22436

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H9NO6/c16-14(9-2-1-3-10(6-9)15(17)18)21-11-4-5-12-13(7-11)20-8-19-12/h1-7H,8H2