[(E)-3-[2-butyl-5-chloranyl-3-[(4-nitrophenyl)methyl]imidazol-4-yl]-3-oxidanyl-prop-1-enyl] ethanoate

Systemtic Name: [(E)-3-[2-butyl-5-chloranyl-3-[(4-nitrophenyl)methyl]imidazol-4-yl]-3-oxidanyl-prop-1-enyl] ethanoate Openeye Name: [(E)-3-[2-butyl-5-chloro-3-[(4-nitrophenyl)methyl]imidazol-4-yl]-3-hydroxy-prop-1-enyl] acetate CAS Name: acetic acid [(E)-3-[2-butyl-5-chloro-3-[(4-nitrophenyl)methyl]-4-imidazolyl]-3-hydroxyprop-1-enyl] ester IUPAC Name: [(E)-3-[2-butyl-5-chloro-3-[(4-nitrophenyl)methyl]imidazol-4-yl]-3-hydroxyprop-1-enyl] acetate Traditional Name: acetic acid [(E)-3-[2-butyl-5-chloro-3-(4-nitrobenzyl)imidazol-4-yl]-3-hydroxy-prop-1-enyl] ester Formula: C19H22ClN3O5 MolecularWeight: 407.84808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])C(C=COC(=O)C)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])C(/C=C/OC(=O)C)O)Cl

InChI

InChI=1S/C19H22ClN3O5/c1-3-4-5-17-21-19(20)18(16(25)10-11-28-13(2)24)22(17)12-14-6-8-15(9-7-14)23(26)27/h6-11,16,25H,3-5,12H2,1-2H3/b11-10+