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

Systemtic Name: 5-nitrooxypentyl 4-[[2-butyl-5-[(Z)-3-(5-nitrooxypentoxy)-3-oxidanylidene-2-thiophen-2-yl-prop-1-enyl]imidazol-1-yl]methyl]benzoate Openeye Name: 5-nitrooxypentyl 4-[[2-butyl-5-[(Z)-3-(5-nitrooxypentoxy)-3-oxo-2-(2-thienyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-butyl-5-[(Z)-3-(5-nitrooxypentoxy)-3-oxo-2-thiophen-2-ylprop-1-enyl]-1-imidazolyl]methyl]benzoic acid 5-nitrooxypentyl ester IUPAC Name: 5-nitrooxypentyl 4-[[2-butyl-5-[(Z)-3-(5-nitrooxypentoxy)-3-oxo-2-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]benzoate Traditional Name: 4-[[2-butyl-5-[(Z)-3-keto-3-(5-nitrooxypentoxy)-2-(2-thienyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid 5-nitrooxypentyl ester Formula: C32H40N4O10S MolecularWeight: 672.7458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H40N4O10S/c1-2-3-12-30-33-23-27(22-28(29-11-10-21-47-29)32(38)44-18-7-5-9-20-46-36(41)42)34(30)24-25-13-15-26(16-14-25)31(37)43-17-6-4-8-19-45-35(39)40/h10-11,13-16,21-23H,2-9,12,17-20,24H2,1H3/b28-22+