(2,4,5-trimethyl-3-nitro-2-oxidanyl-imidazol-4-yl)methyl N-phenylcarbamate

Systemtic Name: (2,4,5-trimethyl-3-nitro-2-oxidanyl-imidazol-4-yl)methyl N-phenylcarbamate Openeye Name: (2-hydroxy-2,4,5-trimethyl-3-nitro-imidazol-4-yl)methyl N-phenylcarbamate CAS Name: N-phenylcarbamic acid (2-hydroxy-2,4,5-trimethyl-3-nitro-4-imidazolyl)methyl ester IUPAC Name: (2-hydroxy-2,4,5-trimethyl-3-nitroimidazol-4-yl)methyl N-phenylcarbamate Traditional Name: N-phenylcarbamic acid (2-hydroxy-2,4,5-trimethyl-3-nitro-3-imidazolin-4-yl)methyl ester Formula: C14H18N4O5 MolecularWeight: 322.31652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(N(C1(C)COC(=O)NC2=CC=CC=C2)[N+](=O)[O-])(C)O

Isomeric SMILES

CC1=NC(N(C1(C)COC(=O)NC2=CC=CC=C2)[N+](=O)[O-])(C)O

InChI

InChI=1S/C14H18N4O5/c1-10-13(2,17(18(21)22)14(3,20)16-10)9-23-12(19)15-11-7-5-4-6-8-11/h4-8,20H,9H2,1-3H3,(H,15,19)