O3-(1,3-benzodioxol-5-yl) O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-(1,3-benzodioxol-5-yl) O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-(1,3-benzodioxol-5-yl) O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(1,3-benzodioxol-5-yl) ester O1-methyl ester IUPAC Name: 3-O-(1,3-benzodioxol-5-yl) 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(1,3-benzodioxol-5-yl) ester O1-methyl ester Formula: C16H11NO8 MolecularWeight: 345.26044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11NO8/c1-22-15(18)9-4-10(6-11(5-9)17(20)21)16(19)25-12-2-3-13-14(7-12)24-8-23-13/h2-7H,8H2,1H3