O3-(2-chloranyl-4-cyano-phenyl) O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-(2-chloranyl-4-cyano-phenyl) O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-(2-chloro-4-cyano-phenyl) O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(2-chloro-4-cyanophenyl) ester O1-ethyl ester IUPAC Name: 3-O-(2-chloro-4-cyanophenyl) 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(2-chloro-4-cyano-phenyl) ester O1-ethyl ester Formula: C17H11ClN2O6 MolecularWeight: 374.73204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OC2=C(C=C(C=C2)C#N)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OC2=C(C=C(C=C2)C#N)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H11ClN2O6/c1-2-25-16(21)11-6-12(8-13(7-11)20(23)24)17(22)26-15-4-3-10(9-19)5-14(15)18/h3-8H,2H2,1H3