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

Systemtic Name: O3-(1-cyanoethyl) O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-(1-cyanoethyl) O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(1-cyanoethyl) ester O1-methyl ester IUPAC Name: 3-O-(1-cyanoethyl) 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(1-cyanoethyl) ester O1-methyl ester Formula: C12H10N2O6 MolecularWeight: 278.2176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=CC(=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C#N)OC(=O)C1=CC(=CC(=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O6/c1-7(6-13)20-12(16)9-3-8(11(15)19-2)4-10(5-9)14(17)18/h3-5,7H,1-2H3