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

Systemtic Name: [2-(nitrooxymethyl)phenyl]methyl 4-[[2-butyl-5-[(Z)-3-[[2-(nitrooxymethyl)phenyl]methoxy]-3-oxidanylidene-2-thiophen-2-yl-prop-1-enyl]imidazol-1-yl]methyl]benzoate Openeye Name: [2-(nitrooxymethyl)phenyl]methyl 4-[[2-butyl-5-[(Z)-3-[[2-(nitrooxymethyl)phenyl]methoxy]-3-oxo-2-(2-thienyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-butyl-5-[(Z)-3-[[2-(nitrooxymethyl)phenyl]methoxy]-3-oxo-2-thiophen-2-ylprop-1-enyl]-1-imidazolyl]methyl]benzoic acid [2-(nitrooxymethyl)phenyl]methyl ester IUPAC Name: [2-(nitrooxymethyl)phenyl]methyl 4-[[2-butyl-5-[(Z)-3-[[2-(nitrooxymethyl)phenyl]methoxy]-3-oxo-2-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]benzoate Traditional Name: 4-[[2-butyl-5-[(Z)-3-keto-3-[2-(nitrooxymethyl)benzyl]oxy-2-(2-thienyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid [2-(nitrooxymethyl)benzyl] ester Formula: C38H36N4O10S MolecularWeight: 740.77824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3CO[N+](=O)[O-])C=C(C4=CC=CS4)C(=O)OCC5=CC=CC=C5CO[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3CO[N+](=O)[O-])/C=C(\C4=CC=CS4)/C(=O)OCC5=CC=CC=C5CO[N+](=O)[O-]

InChI

InChI=1S/C38H36N4O10S/c1-2-3-14-36-39-21-33(20-34(35-13-8-19-53-35)38(44)50-24-30-10-5-7-12-32(30)26-52-42(47)48)40(36)22-27-15-17-28(18-16-27)37(43)49-23-29-9-4-6-11-31(29)25-51-41(45)46/h4-13,15-21H,2-3,14,22-26H2,1H3/b34-20+