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

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 3-chloranylbenzoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C13H12ClN3O4 MolecularWeight: 309.70508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O4/c1-9-15-8-12(17(19)20)16(9)5-6-21-13(18)10-3-2-4-11(14)7-10/h2-4,7-8H,5-6H2,1H3