1,3-benzodioxol-5-ylmethyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid piperonyl ester Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6/c1-18(2)13-5-4-12(8-14(13)19(21)22)17(20)23-9-11-3-6-15-16(7-11)25-10-24-15/h3-8H,9-10H2,1-2H3