4-nitrooxybutyl 4-[[2-butyl-5-[(Z)-3-(4-nitrooxybutoxy)-3-oxidanylidene-2-thiophen-2-yl-prop-1-enyl]imidazol-1-yl]methyl]benzoate

Systemtic Name: 4-nitrooxybutyl 4-[[2-butyl-5-[(Z)-3-(4-nitrooxybutoxy)-3-oxidanylidene-2-thiophen-2-yl-prop-1-enyl]imidazol-1-yl]methyl]benzoate Openeye Name: 4-nitrooxybutyl 4-[[2-butyl-5-[(Z)-3-(4-nitrooxybutoxy)-3-oxo-2-(2-thienyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-butyl-5-[(Z)-3-(4-nitrooxybutoxy)-3-oxo-2-thiophen-2-ylprop-1-enyl]-1-imidazolyl]methyl]benzoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 4-[[2-butyl-5-[(Z)-3-(4-nitrooxybutoxy)-3-oxo-2-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]benzoate Traditional Name: 4-[[2-butyl-5-[(Z)-3-keto-3-(4-nitrooxybutoxy)-2-(2-thienyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid 4-nitrooxybutyl ester Formula: C30H36N4O10S MolecularWeight: 644.69264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)OCCCCO[N+](=O)[O-])C=C(C3=CC=CS3)C(=O)OCCCCO[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)OCCCCO[N+](=O)[O-])/C=C(\C3=CC=CS3)/C(=O)OCCCCO[N+](=O)[O-]

InChI

InChI=1S/C30H36N4O10S/c1-2-3-10-28-31-21-25(20-26(27-9-8-19-45-27)30(36)42-16-5-7-18-44-34(39)40)32(28)22-23-11-13-24(14-12-23)29(35)41-15-4-6-17-43-33(37)38/h8-9,11-14,19-21H,2-7,10,15-18,22H2,1H3/b26-20+