2-[2-[4-(4-nitrophenyl)-4-oxidanyl-piperidin-1-yl]ethyl]-3-oxidanyl-3H-benzo[de]isoquinolin-1-one

Systemtic Name: 2-[2-[4-(4-nitrophenyl)-4-oxidanyl-piperidin-1-yl]ethyl]-3-oxidanyl-3H-benzo[de]isoquinolin-1-one Openeye Name: 3-hydroxy-2-[2-[4-hydroxy-4-(4-nitrophenyl)-1-piperidyl]ethyl]-3H-benzo[de]isoquinolin-1-one CAS Name: 3-hydroxy-2-[2-[4-hydroxy-4-(4-nitrophenyl)-1-piperidinyl]ethyl]-3H-benzo[de]isoquinolin-1-one IUPAC Name: 3-hydroxy-2-[2-[4-hydroxy-4-(4-nitrophenyl)piperidin-1-yl]ethyl]-3H-benzo[de]isoquinolin-1-one Traditional Name: 3-hydroxy-2-[2-[4-hydroxy-4-(4-nitrophenyl)piperidino]ethyl]-3H-benzo[de]isoquinolin-1-one Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)[N+](=O)[O-])O)CCN3C(C4=CC=CC5=C4C(=CC=C5)C3=O)O

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)[N+](=O)[O-])O)CCN3C(C4=CC=CC5=C4C(=CC=C5)C3=O)O

InChI

InChI=1S/C25H25N3O5/c29-23-20-5-1-3-17-4-2-6-21(22(17)20)24(30)27(23)16-15-26-13-11-25(31,12-14-26)18-7-9-19(10-8-18)28(32)33/h1-10,23,29,31H,11-16H2