1,3-benzodioxol-5-yl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: 1,3-benzodioxol-5-yl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: 1,3-benzodioxol-5-yl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid 1,3-benzodioxol-5-yl ester Formula: C16H13NO8 MolecularWeight: 347.27632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC

InChI

InChI=1S/C16H13NO8/c1-21-13-6-10(11(17(19)20)7-14(13)22-2)16(18)25-9-3-4-12-15(5-9)24-8-23-12/h3-7H,8H2,1-2H3