O1-methyl O3-(2-naphthalen-2-yl-2-oxidanylidene-ethyl) 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-(2-naphthalen-2-yl-2-oxidanylidene-ethyl) 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-(2-naphthyl)-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-(2-naphthalenyl)-2-oxoethyl] ester IUPAC Name: 1-O-methyl 3-O-(2-naphthalen-2-yl-2-oxoethyl) 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-(2-naphthyl)ethyl] ester O1-methyl ester Formula: C21H15NO7 MolecularWeight: 393.3463

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H15NO7/c1-28-20(24)16-9-17(11-18(10-16)22(26)27)21(25)29-12-19(23)15-7-6-13-4-2-3-5-14(13)8-15/h2-11H,12H2,1H3