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

Systemtic Name: O3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] O1-ethyl 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-ethyl ester IUPAC Name: 3-O-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 1-O-ethyl 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-ethyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O7/c1-2-29-20(25)16-9-17(11-18(10-16)23(27)28)21(26)30-13-19(24)22-8-7-14-5-3-4-6-15(14)12-22/h3-6,9-11H,2,7-8,12-13H2,1H3