2-(2-methyl-5-nitro-imidazol-1-yl)ethyl N-(4-nitrophenyl)carbamate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl N-(4-nitrophenyl)carbamate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl N-(4-nitrophenyl)carbamate CAS Name: N-(4-nitrophenyl)carbamic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl N-(4-nitrophenyl)carbamate Traditional Name: N-(4-nitrophenyl)carbamic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C13H13N5O6 MolecularWeight: 335.27222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5O6/c1-9-14-8-12(18(22)23)16(9)6-7-24-13(19)15-10-2-4-11(5-3-10)17(20)21/h2-5,8H,6-7H2,1H3,(H,15,19)