2-(2-methyl-5-nitro-imidazol-1-yl)ethyl propanoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl propanoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl propanoate CAS Name: propanoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl propanoate Traditional Name: propionic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C9H13N3O4 MolecularWeight: 227.21722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCN1C(=NC=C1[N+](=O)[O-])C

Isomeric SMILES

CCC(=O)OCCN1C(=NC=C1[N+](=O)[O-])C

InChI

InChI=1S/C9H13N3O4/c1-3-9(13)16-5-4-11-7(2)10-6-8(11)12(14)15/h6H,3-5H2,1-2H3