5-[(E)-1-(3-nitrophenyl)prop-1-enyl]-6-oxidanyl-2-phenethyl-2-propyl-3H-pyran-4-one

Systemtic Name: 5-[(E)-1-(3-nitrophenyl)prop-1-enyl]-6-oxidanyl-2-phenethyl-2-propyl-3H-pyran-4-one Openeye Name: 6-hydroxy-5-[(E)-1-(3-nitrophenyl)prop-1-enyl]-2-phenethyl-2-propyl-3H-pyran-4-one CAS Name: 6-hydroxy-5-[(E)-1-(3-nitrophenyl)prop-1-enyl]-2-phenethyl-2-propyl-3H-pyran-4-one IUPAC Name: 6-hydroxy-5-[(E)-1-(3-nitrophenyl)prop-1-enyl]-2-phenethyl-2-propyl-3H-pyran-4-one Traditional Name: 6-hydroxy-5-[(E)-1-(3-nitrophenyl)prop-1-enyl]-2-phenethyl-2-propyl-3H-pyran-4-one Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(=O)C(=C(O1)O)C(=CC)C2=CC(=CC=C2)[N+](=O)[O-])CCC3=CC=CC=C3

Isomeric SMILES

CCCC1(CC(=O)C(=C(O1)O)/C(=C/C)/C2=CC(=CC=C2)[N+](=O)[O-])CCC3=CC=CC=C3

InChI

InChI=1S/C25H27NO5/c1-3-14-25(15-13-18-9-6-5-7-10-18)17-22(27)23(24(28)31-25)21(4-2)19-11-8-12-20(16-19)26(29)30/h4-12,16,28H,3,13-15,17H2,1-2H3/b21-4+