2-[4-nitro-3-(3-piperidin-1-ylpropoxy)phenyl]-7-oxidanyl-8-propyl-chromen-4-one

Systemtic Name: 2-[4-nitro-3-(3-piperidin-1-ylpropoxy)phenyl]-7-oxidanyl-8-propyl-chromen-4-one Openeye Name: 7-hydroxy-2-[4-nitro-3-[3-(1-piperidyl)propoxy]phenyl]-8-propyl-chromen-4-one CAS Name: 7-hydroxy-2-[4-nitro-3-[3-(1-piperidinyl)propoxy]phenyl]-8-propyl-1-benzopyran-4-one IUPAC Name: 7-hydroxy-2-[4-nitro-3-(3-piperidin-1-ylpropoxy)phenyl]-8-propylchromen-4-one Traditional Name: 7-hydroxy-2-[4-nitro-3-(3-piperidinopropoxy)phenyl]-8-propyl-chromone Formula: C26H30N2O6 MolecularWeight: 466.5262

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=CC2=O)C3=CC(=C(C=C3)[N+](=O)[O-])OCCCN4CCCCC4)O

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=CC2=O)C3=CC(=C(C=C3)[N+](=O)[O-])OCCCN4CCCCC4)O

InChI

InChI=1S/C26H30N2O6/c1-2-7-19-22(29)11-9-20-23(30)17-24(34-26(19)20)18-8-10-21(28(31)32)25(16-18)33-15-6-14-27-12-4-3-5-13-27/h8-11,16-17,29H,2-7,12-15H2,1H3