O3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl] ester O1-methyl ester IUPAC Name: 3-O-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl] ester O1-methyl ester Formula: C19H16ClNO8 MolecularWeight: 421.78524

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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)OCCCO3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C19H16ClNO8/c1-26-18(22)12-7-13(9-14(8-12)21(24)25)19(23)29-10-11-5-15(20)17-16(6-11)27-3-2-4-28-17/h5-9H,2-4,10H2,1H3