2-(2-methyl-5-nitro-imidazol-1-yl)ethyl N-phenylcarbamate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl N-phenylcarbamate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl N-phenylcarbamate CAS Name: N-phenylcarbamic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl N-phenylcarbamate Traditional Name: N-phenylcarbamic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O4/c1-10-14-9-12(17(19)20)16(10)7-8-21-13(18)15-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,15,18)