2-[3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanylethanoic acid Openeye Name: 2-[3-[(4-methoxy-3-nitro-phenyl)methyl]-2-methyl-5-nitro-imidazol-4-yl]sulfanylacetic acid CAS Name: 2-[[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitro-4-imidazolyl]thio]acetic acid IUPAC Name: 2-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfanylacetic acid Traditional Name: 2-[[3-(4-methoxy-3-nitro-benzyl)-2-methyl-5-nitro-imidazol-4-yl]thio]acetic acid Formula: C14H14N4O7S MolecularWeight: 382.34856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])SCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CC2=CC(=C(C=C2)OC)[N+](=O)[O-])SCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O7S/c1-8-15-13(18(23)24)14(26-7-12(19)20)16(8)6-9-3-4-11(25-2)10(5-9)17(21)22/h3-5H,6-7H2,1-2H3,(H,19,20)