O1-methyl O4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] benzene-1,4-dicarboxylate

Systemtic Name: O1-methyl O4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] benzene-1,4-dicarboxylate Openeye Name: O1-methyl O4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl] ester IUPAC Name: 1-O-methyl 4-O-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] ester Formula: C15H15N3O6 MolecularWeight: 333.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)C2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)C2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O6/c1-10-16-9-13(18(21)22)17(10)7-8-24-15(20)12-5-3-11(4-6-12)14(19)23-2/h3-6,9H,7-8H2,1-2H3