3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dihydroxy-5-nitro-phenyl)propan-1-one CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dihydroxy-5-nitrophenyl)-1-propanone IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dihydroxy-5-nitrophenyl)propan-1-one Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dihydroxy-5-nitro-phenyl)propan-1-one Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CCC(=O)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CCC(=O)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5/c21-16(14-9-15(20(24)25)18(23)17(22)10-14)6-8-19-7-5-12-3-1-2-4-13(12)11-19/h1-4,9-10,22-23H,5-8,11H2