2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 3,5-dimethoxybenzoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 3,5-dimethoxybenzoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C15H17N3O6 MolecularWeight: 335.31198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O6/c1-10-16-9-14(18(20)21)17(10)4-5-24-15(19)11-6-12(22-2)8-13(7-11)23-3/h6-9H,4-5H2,1-3H3