O3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester O1-methyl ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H18N2O7/c1-28-19(24)15-8-16(10-17(9-15)22(26)27)20(25)29-12-18(23)21-7-6-13-4-2-3-5-14(13)11-21/h2-5,8-10H,6-7,11-12H2,1H3