(2Z,7Z)-3,5-diethyl-4-(4-nitrophenyl)-2-pent-1-ynyl-8-propyl-4,5-dihydrooxocin-6-one

Systemtic Name: (2Z,7Z)-3,5-diethyl-4-(4-nitrophenyl)-2-pent-1-ynyl-8-propyl-4,5-dihydrooxocin-6-one Openeye Name: (2Z,7Z)-3,5-diethyl-4-(4-nitrophenyl)-2-pent-1-ynyl-8-propyl-4,5-dihydrooxocin-6-one CAS Name: (2Z,7Z)-3,5-diethyl-4-(4-nitrophenyl)-2-pent-1-ynyl-8-propyl-4,5-dihydrooxocin-6-one IUPAC Name: (2Z,7Z)-3,5-diethyl-4-(4-nitrophenyl)-2-pent-1-ynyl-8-propyl-4,5-dihydrooxocin-6-one Traditional Name: (2Z,7Z)-3,5-diethyl-4-(4-nitrophenyl)-2-pent-1-ynyl-8-propyl-4,5-dihydrooxocin-6-one Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=C(C(C(C(=O)C=C(O1)CCC)CC)C2=CC=C(C=C2)[N+](=O)[O-])CC

Isomeric SMILES

CCCC#C/C/1=C(/C(C(C(=O)/C=C(\O1)/CCC)CC)C2=CC=C(C=C2)[N+](=O)[O-])\CC

InChI

InChI=1S/C25H31NO4/c1-5-9-10-12-24-22(8-4)25(18-13-15-19(16-14-18)26(28)29)21(7-3)23(27)17-20(30-24)11-6-2/h13-17,21,25H,5-9,11H2,1-4H3/b20-17-,24-22-