2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(3-nitrophenyl)methoxy]pyran-4-one

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(3-nitrophenyl)methoxy]pyran-4-one Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(3-nitrophenyl)methoxy]pyran-4-one CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(3-nitrophenyl)methoxy]-4-pyranone IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[(3-nitrophenyl)methoxy]pyran-4-one Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(3-nitrobenzyl)oxy-pyran-4-one Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O5/c25-21-11-20(13-23-9-8-17-5-1-2-6-18(17)12-23)28-15-22(21)29-14-16-4-3-7-19(10-16)24(26)27/h1-7,10-11,15H,8-9,12-14H2