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

Systemtic Name: 3-[2-butyl-5-chloranyl-3-[(4-nitrophenyl)methyl]imidazol-4-yl]propanoic acid Openeye Name: 3-[2-butyl-5-chloro-3-[(4-nitrophenyl)methyl]imidazol-4-yl]propanoic acid CAS Name: 3-[2-butyl-5-chloro-3-[(4-nitrophenyl)methyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-[2-butyl-5-chloro-3-[(4-nitrophenyl)methyl]imidazol-4-yl]propanoic acid Traditional Name: 3-[2-butyl-5-chloro-3-(4-nitrobenzyl)imidazol-4-yl]propionic acid Formula: C17H20ClN3O4 MolecularWeight: 365.8114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O4/c1-2-3-4-15-19-17(18)14(9-10-16(22)23)20(15)11-12-5-7-13(8-6-12)21(24)25/h5-8H,2-4,9-11H2,1H3,(H,22,23)