2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 3,4,5-trimethoxybenzoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 3,4,5-trimethoxybenzoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C16H19N3O7 MolecularWeight: 365.33796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O7/c1-10-17-9-14(19(21)22)18(10)5-6-26-16(20)11-7-12(23-2)15(25-4)13(8-11)24-3/h7-9H,5-6H2,1-4H3