5-methyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]benzoic acid

Systemtic Name: 5-methyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]benzoic acid Openeye Name: 5-methyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]benzoic acid CAS Name: 5-methyl-2-[2-(2-methyl-5-nitro-1-imidazolyl)ethoxy]benzoic acid IUPAC Name: 5-methyl-2-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]benzoic acid Traditional Name: 5-methyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]benzoic acid Formula: C14H15N3O5 MolecularWeight: 305.286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCN2C(=NC=C2[N+](=O)[O-])C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCN2C(=NC=C2[N+](=O)[O-])C)C(=O)O

InChI

InChI=1S/C14H15N3O5/c1-9-3-4-12(11(7-9)14(18)19)22-6-5-16-10(2)15-8-13(16)17(20)21/h3-4,7-8H,5-6H2,1-2H3,(H,18,19)