2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-3,5-dinitro-benzoic acid

Systemtic Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-3,5-dinitro-benzoic acid Openeye Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-3,5-dinitro-benzoic acid CAS Name: 2-[2-(2-methyl-5-nitro-1-imidazolyl)ethoxy]-3,5-dinitrobenzoic acid IUPAC Name: 2-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]-3,5-dinitrobenzoic acid Traditional Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]-3,5-dinitro-benzoic acid Formula: C13H11N5O9 MolecularWeight: 381.25454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O9/c1-7-14-6-11(18(25)26)15(7)2-3-27-12-9(13(19)20)4-8(16(21)22)5-10(12)17(23)24/h4-6H,2-3H2,1H3,(H,19,20)