imidazol-1-ylcarbonyl 5-nitro-1-(phenylmethyl)imidazole-4-carboxylate

Systemtic Name: imidazol-1-ylcarbonyl 5-nitro-1-(phenylmethyl)imidazole-4-carboxylate Openeye Name: imidazole-1-carbonyl 1-benzyl-5-nitro-imidazole-4-carboxylate CAS Name: 5-nitro-1-(phenylmethyl)-4-imidazolecarboxylic acid [1-imidazolyl(oxo)methyl] ester IUPAC Name: imidazole-1-carbonyl 1-benzyl-5-nitroimidazole-4-carboxylate Traditional Name: 1-benzyl-5-nitro-imidazole-4-carboxylic acid imidazole-1-carbonyl ester Formula: C15H11N5O5 MolecularWeight: 341.27834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC(=C2[N+](=O)[O-])C(=O)OC(=O)N3C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC(=C2[N+](=O)[O-])C(=O)OC(=O)N3C=CN=C3

InChI

InChI=1S/C15H11N5O5/c21-14(25-15(22)18-7-6-16-9-18)12-13(20(23)24)19(10-17-12)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2