O1-methyl O3-[(E)-3-phenylprop-2-enyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[(E)-3-phenylprop-2-enyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(E)-cinnamyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[(E)-3-phenylprop-2-enyl] ester IUPAC Name: 1-O-methyl 3-O-[(E)-3-phenylprop-2-enyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(E)-cinnamyl] ester O1-methyl ester Formula: C18H15NO6 MolecularWeight: 341.3148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC=CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC/C=C/C2=CC=CC=C2

InChI

InChI=1S/C18H15NO6/c1-24-17(20)14-10-15(12-16(11-14)19(22)23)18(21)25-9-5-8-13-6-3-2-4-7-13/h2-8,10-12H,9H2,1H3/b8-5+