3-[3-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]xanthen-9-one

Systemtic Name: 3-[3-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]xanthen-9-one Openeye Name: 3-[3-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]xanthen-9-one CAS Name: 3-[3-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-9-xanthenone IUPAC Name: 3-[3-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]xanthen-9-one Traditional Name: 3-[3-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]xanthone Formula: C25H22N2O5 MolecularWeight: 430.45258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)[N+](=O)[O-])CCCOC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5O4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)[N+](=O)[O-])CCCOC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5O4

InChI

InChI=1S/C25H22N2O5/c28-25-21-4-1-2-5-23(21)32-24-15-20(8-9-22(24)25)31-13-3-11-26-12-10-17-6-7-19(27(29)30)14-18(17)16-26/h1-2,4-9,14-15H,3,10-13,16H2