O3-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl] ester O1-ethyl ester IUPAC Name: 3-O-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl] ester O1-ethyl ester Formula: C19H16ClNO8 MolecularWeight: 421.78524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)[N+](=O)[O-]

InChI

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