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

Systemtic Name: (2Z,7Z)-3,5-dimethyl-4-(4-nitrophenyl)-8-phenyl-2-(2-phenylethynyl)-4,5-dihydrooxocin-6-one Openeye Name: (2Z,7Z)-3,5-dimethyl-4-(4-nitrophenyl)-8-phenyl-2-(2-phenylethynyl)-4,5-dihydrooxocin-6-one CAS Name: (2Z,7Z)-3,5-dimethyl-4-(4-nitrophenyl)-8-phenyl-2-(2-phenylethynyl)-4,5-dihydrooxocin-6-one IUPAC Name: (2Z,7Z)-3,5-dimethyl-4-(4-nitrophenyl)-8-phenyl-2-(2-phenylethynyl)-4,5-dihydrooxocin-6-one Traditional Name: (2Z,7Z)-3,5-dimethyl-4-(4-nitrophenyl)-8-phenyl-2-(2-phenylethynyl)-4,5-dihydrooxocin-6-one Formula: C29H23NO4 MolecularWeight: 449.49722

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=C(OC(=CC1=O)C2=CC=CC=C2)C#CC3=CC=CC=C3)C)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1C(/C(=C(\O/C(=C\C1=O)/C2=CC=CC=C2)/C#CC3=CC=CC=C3)/C)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H23NO4/c1-20-26(31)19-28(23-11-7-4-8-12-23)34-27(18-13-22-9-5-3-6-10-22)21(2)29(20)24-14-16-25(17-15-24)30(32)33/h3-12,14-17,19-20,29H,1-2H3/b27-21-,28-19-