(2-chloranyl-4,5-dimethoxy-phenyl)methyl N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]carbamate

Systemtic Name: (2-chloranyl-4,5-dimethoxy-phenyl)methyl N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]carbamate Openeye Name: (2-chloro-4,5-dimethoxy-phenyl)methyl N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]carbamate CAS Name: N-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]carbamic acid (2-chloro-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-chloro-4,5-dimethoxyphenyl)methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamate Traditional Name: N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]carbamic acid (2-chloro-4,5-dimethoxy-benzyl) ester Formula: C16H19ClN4O6 MolecularWeight: 398.79826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCNC(=O)OCC2=CC(=C(C=C2Cl)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCNC(=O)OCC2=CC(=C(C=C2Cl)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H19ClN4O6/c1-10-19-8-15(21(23)24)20(10)5-4-18-16(22)27-9-11-6-13(25-2)14(26-3)7-12(11)17/h6-8H,4-5,9H2,1-3H3,(H,18,22)