O3-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(7-chloro-1,3-benzodioxol-5-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(7-chloro-1,3-benzodioxol-5-yl)methyl] ester O1-methyl ester IUPAC Name: 3-O-[(7-chloro-1,3-benzodioxol-5-yl)methyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(7-chloro-1,3-benzodioxol-5-yl)methyl] ester O1-methyl ester Formula: C17H12ClNO8 MolecularWeight: 393.73208

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C17H12ClNO8/c1-24-16(20)10-4-11(6-12(5-10)19(22)23)17(21)25-7-9-2-13(18)15-14(3-9)26-8-27-15/h2-6H,7-8H2,1H3