(2Z,7Z)-3,5-diethyl-4-(4-nitrophenyl)-8-phenyl-2-(2-phenylethynyl)-4,5-dihydrooxocin-6-one

Systemtic Name: (2Z,7Z)-3,5-diethyl-4-(4-nitrophenyl)-8-phenyl-2-(2-phenylethynyl)-4,5-dihydrooxocin-6-one Openeye Name: (2Z,7Z)-3,5-diethyl-4-(4-nitrophenyl)-8-phenyl-2-(2-phenylethynyl)-4,5-dihydrooxocin-6-one CAS Name: (2Z,7Z)-3,5-diethyl-4-(4-nitrophenyl)-8-phenyl-2-(2-phenylethynyl)-4,5-dihydrooxocin-6-one IUPAC Name: (2Z,7Z)-3,5-diethyl-4-(4-nitrophenyl)-8-phenyl-2-(2-phenylethynyl)-4,5-dihydrooxocin-6-one Traditional Name: (2Z,7Z)-3,5-diethyl-4-(4-nitrophenyl)-8-phenyl-2-(2-phenylethynyl)-4,5-dihydrooxocin-6-one Formula: C31H27NO4 MolecularWeight: 477.55038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(=C(OC(=CC1=O)C2=CC=CC=C2)C#CC3=CC=CC=C3)CC)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1C(/C(=C(\O/C(=C\C1=O)/C2=CC=CC=C2)/C#CC3=CC=CC=C3)/CC)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C31H27NO4/c1-3-26-28(33)21-30(23-13-9-6-10-14-23)36-29(20-15-22-11-7-5-8-12-22)27(4-2)31(26)24-16-18-25(19-17-24)32(34)35/h5-14,16-19,21,26,31H,3-4H2,1-2H3/b29-27-,30-21-