2-[5-(4-chloranyl-3-nitro-phenyl)-4-(2-methylpropyl)imidazol-1-yl]ethanoic acid

Systemtic Name: 2-[5-(4-chloranyl-3-nitro-phenyl)-4-(2-methylpropyl)imidazol-1-yl]ethanoic acid Openeye Name: 2-[5-(4-chloro-3-nitro-phenyl)-4-isobutyl-imidazol-1-yl]acetic acid CAS Name: 2-[5-(4-chloro-3-nitrophenyl)-4-(2-methylpropyl)-1-imidazolyl]acetic acid IUPAC Name: 2-[5-(4-chloro-3-nitrophenyl)-4-(2-methylpropyl)imidazol-1-yl]acetic acid Traditional Name: 2-[5-(4-chloro-3-nitro-phenyl)-4-isobutyl-imidazol-1-yl]acetic acid Formula: C15H16ClN3O4 MolecularWeight: 337.75824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(N(C=N1)CC(=O)O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=C(N(C=N1)CC(=O)O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H16ClN3O4/c1-9(2)5-12-15(18(8-17-12)7-14(20)21)10-3-4-11(16)13(6-10)19(22)23/h3-4,6,8-9H,5,7H2,1-2H3,(H,20,21)