3-[2-butyl-5-chloranyl-3-[(4-nitrophenyl)methyl]imidazol-4-yl]-2-methyl-propanoic acid

Systemtic Name: 3-[2-butyl-5-chloranyl-3-[(4-nitrophenyl)methyl]imidazol-4-yl]-2-methyl-propanoic acid Openeye Name: 3-[2-butyl-5-chloro-3-[(4-nitrophenyl)methyl]imidazol-4-yl]-2-methyl-propanoic acid CAS Name: 3-[2-butyl-5-chloro-3-[(4-nitrophenyl)methyl]-4-imidazolyl]-2-methylpropanoic acid IUPAC Name: 3-[2-butyl-5-chloro-3-[(4-nitrophenyl)methyl]imidazol-4-yl]-2-methylpropanoic acid Traditional Name: 3-[2-butyl-5-chloro-3-(4-nitrobenzyl)imidazol-4-yl]-2-methyl-propionic acid Formula: C18H22ClN3O4 MolecularWeight: 379.83798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O4/c1-3-4-5-16-20-17(19)15(10-12(2)18(23)24)21(16)11-13-6-8-14(9-7-13)22(25)26/h6-9,12H,3-5,10-11H2,1-2H3,(H,23,24)