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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-nitro-4,5-bis(oxidanyl)phenyl]ethanone Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dihydroxy-5-nitro-phenyl)ethanone CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dihydroxy-5-nitrophenyl)ethanone IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dihydroxy-5-nitrophenyl)ethanone Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dihydroxy-5-nitro-phenyl)ethanone Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5/c20-15-8-13(7-14(17(15)22)19(23)24)16(21)10-18-6-5-11-3-1-2-4-12(11)9-18/h1-4,7-8,20,22H,5-6,9-10H2