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

Systemtic Name: 4-azanyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]benzoic acid Openeye Name: 4-amino-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]benzoic acid CAS Name: 4-amino-2-[2-(2-methyl-5-nitro-1-imidazolyl)ethoxy]benzoic acid IUPAC Name: 4-amino-2-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]benzoic acid Traditional Name: 4-amino-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]benzoic acid Formula: C13H14N4O5 MolecularWeight: 306.27406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC2=C(C=CC(=C2)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC2=C(C=CC(=C2)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O5/c1-8-15-7-12(17(20)21)16(8)4-5-22-11-6-9(14)2-3-10(11)13(18)19/h2-3,6-7H,4-5,14H2,1H3,(H,18,19)