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

Systemtic Name: 2-[2-butyl-3-chloranyl-5-[(4-nitrophenyl)methyl]imidazol-4-yl]ethanoic acid Openeye Name: 2-[2-butyl-3-chloro-5-[(4-nitrophenyl)methyl]imidazol-4-yl]acetic acid CAS Name: 2-[2-butyl-3-chloro-5-[(4-nitrophenyl)methyl]-4-imidazolyl]acetic acid IUPAC Name: 2-[2-butyl-3-chloro-5-[(4-nitrophenyl)methyl]imidazol-4-yl]acetic acid Traditional Name: 2-[2-butyl-3-chloro-5-(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(N1Cl)CC(=O)O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NC(=C(N1Cl)CC(=O)O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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