ethyl 4-[(3-methyl-5-nitro-imidazol-4-yl)amino]benzoate

Systemtic Name: ethyl 4-[(3-methyl-5-nitro-imidazol-4-yl)amino]benzoate Openeye Name: ethyl 4-[(3-methyl-5-nitro-imidazol-4-yl)amino]benzoate CAS Name: 4-[(3-methyl-5-nitro-4-imidazolyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-methyl-5-nitroimidazol-4-yl)amino]benzoate Traditional Name: 4-[(3-methyl-5-nitro-imidazol-4-yl)amino]benzoic acid ethyl ester Formula: C13H14N4O4 MolecularWeight: 290.27466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(N=CN2C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(N=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O4/c1-3-21-13(18)9-4-6-10(7-5-9)15-12-11(17(19)20)14-8-16(12)2/h4-8,15H,3H2,1-2H3