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

Systemtic Name: 1,3-benzodioxol-5-yl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: 1,3-benzodioxol-5-yl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid 1,3-benzodioxol-5-yl ester Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O6/c1-17(2)12-5-3-10(7-13(12)18(20)21)16(19)24-11-4-6-14-15(8-11)23-9-22-14/h3-8H,9H2,1-2H3