(2-cyanophenyl)methyl 2,3-dimethyl-5-nitro-imidazole-4-carboxylate

Systemtic Name: (2-cyanophenyl)methyl 2,3-dimethyl-5-nitro-imidazole-4-carboxylate Openeye Name: (2-cyanophenyl)methyl 2,3-dimethyl-5-nitro-imidazole-4-carboxylate CAS Name: 2,3-dimethyl-5-nitro-4-imidazolecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 2,3-dimethyl-5-nitroimidazole-4-carboxylate Traditional Name: 2,3-dimethyl-5-nitro-imidazole-4-carboxylic acid (2-cyanobenzyl) ester Formula: C14H12N4O4 MolecularWeight: 300.26948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1C)C(=O)OCC2=CC=CC=C2C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1C)C(=O)OCC2=CC=CC=C2C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O4/c1-9-16-13(18(20)21)12(17(9)2)14(19)22-8-11-6-4-3-5-10(11)7-15/h3-6H,8H2,1-2H3