ethyl (E)-3-[2-butyl-5-chloranyl-1-[(4-nitrophenyl)methyl]imidazol-4-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[2-butyl-5-chloranyl-1-[(4-nitrophenyl)methyl]imidazol-4-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[2-butyl-5-chloro-1-[(4-nitrophenyl)methyl]imidazol-4-yl]prop-2-enoate CAS Name: (E)-3-[2-butyl-5-chloro-1-[(4-nitrophenyl)methyl]-4-imidazolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-butyl-5-chloro-1-[(4-nitrophenyl)methyl]imidazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[2-butyl-5-chloro-1-(4-nitrobenzyl)imidazol-4-yl]acrylic acid ethyl ester Formula: C19H22ClN3O4 MolecularWeight: 391.84868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O4/c1-3-5-6-17-21-16(11-12-18(24)27-4-2)19(20)22(17)13-14-7-9-15(10-8-14)23(25)26/h7-12H,3-6,13H2,1-2H3/b12-11+