ethyl 4-(2-nitroimidazol-1-yl)butanoate

Systemtic Name: ethyl 4-(2-nitroimidazol-1-yl)butanoate Openeye Name: ethyl 4-(2-nitroimidazol-1-yl)butanoate CAS Name: 4-(2-nitro-1-imidazolyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(2-nitroimidazol-1-yl)butanoate Traditional Name: 4-(2-nitroimidazol-1-yl)butyric acid ethyl ester Formula: C9H13N3O4 MolecularWeight: 227.21722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C=CN=C1[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCN1C=CN=C1[N+](=O)[O-]

InChI

InChI=1S/C9H13N3O4/c1-2-16-8(13)4-3-6-11-7-5-10-9(11)12(14)15/h5,7H,2-4,6H2,1H3