2-[2-butyl-5-chloranyl-1-[(4-nitrophenyl)methyl]imidazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-butyl-5-chloranyl-1-[(4-nitrophenyl)methyl]imidazol-4-yl]ethanoic acid Openeye Name: 2-[2-butyl-5-chloro-1-[(4-nitrophenyl)methyl]imidazol-4-yl]acetic acid CAS Name: 2-[2-butyl-5-chloro-1-[(4-nitrophenyl)methyl]-4-imidazolyl]acetic acid IUPAC Name: 2-[2-butyl-5-chloro-1-[(4-nitrophenyl)methyl]imidazol-4-yl]acetic acid Traditional Name: 2-[2-butyl-5-chloro-1-(4-nitrobenzyl)imidazol-4-yl]acetic acid Formula: C16H18ClN3O4 MolecularWeight: 351.78482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O4/c1-2-3-4-14-18-13(9-15(21)22)16(17)19(14)10-11-5-7-12(8-6-11)20(23)24/h5-8H,2-4,9-10H2,1H3,(H,21,22)