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

Systemtic Name: 3-nitrooxypropyl 4-[[2-butyl-5-[(Z)-3-(3-nitrooxypropoxy)-3-oxidanylidene-2-thiophen-2-yl-prop-1-enyl]imidazol-1-yl]methyl]benzoate Openeye Name: 3-nitrooxypropyl 4-[[2-butyl-5-[(Z)-3-(3-nitrooxypropoxy)-3-oxo-2-(2-thienyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-butyl-5-[(Z)-3-(3-nitrooxypropoxy)-3-oxo-2-thiophen-2-ylprop-1-enyl]-1-imidazolyl]methyl]benzoic acid 3-nitrooxypropyl ester IUPAC Name: 3-nitrooxypropyl 4-[[2-butyl-5-[(Z)-3-(3-nitrooxypropoxy)-3-oxo-2-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]benzoate Traditional Name: 4-[[2-butyl-5-[(Z)-3-keto-3-(3-nitrooxypropoxy)-2-(2-thienyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid 3-nitrooxypropyl ester Formula: C28H32N4O10S MolecularWeight: 616.63948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N4O10S/c1-2-3-8-26-29-19-23(18-24(25-7-4-17-43-25)28(34)40-14-6-16-42-32(37)38)30(26)20-21-9-11-22(12-10-21)27(33)39-13-5-15-41-31(35)36/h4,7,9-12,17-19H,2-3,5-6,8,13-16,20H2,1H3/b24-18+