methyl 4,5-dimethoxy-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[2-(2-methyl-5-nitro-imidazol-1-yl)acetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[2-(2-methyl-5-nitro-1-imidazolyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[2-(2-methyl-5-nitroimidazol-1-yl)acetyl]amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-(2-methyl-5-nitro-imidazol-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C16H18N4O7 MolecularWeight: 378.33672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O7/c1-9-17-7-15(20(23)24)19(9)8-14(21)18-11-6-13(26-3)12(25-2)5-10(11)16(22)27-4/h5-7H,8H2,1-4H3,(H,18,21)