2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-(dimethylaminomethyl)benzoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-(dimethylaminomethyl)benzoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-(dimethylaminomethyl)benzoate CAS Name: 4-(dimethylaminomethyl)benzoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 4-(dimethylaminomethyl)benzoate Traditional Name: 4-(dimethylaminomethyl)benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O4/c1-12-17-10-15(20(22)23)19(12)8-9-24-16(21)14-6-4-13(5-7-14)11-18(2)3/h4-7,10H,8-9,11H2,1-3H3