2-[1-[(4-nitrophenyl)methyl]imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-[(4-nitrophenyl)methyl]imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-[(4-nitrophenyl)methyl]imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-[(4-nitrophenyl)methyl]-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-[(4-nitrophenyl)methyl]imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(4-nitrobenzyl)imidazol-2-yl]thio]acetic acid Formula: C12H11N3O4S MolecularWeight: 293.29844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=CN=C2SCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=CN=C2SCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O4S/c16-11(17)8-20-12-13-5-6-14(12)7-9-1-3-10(4-2-9)15(18)19/h1-6H,7-8H2,(H,16,17)