3-(2-methyl-5-nitro-imidazol-1-yl)propanoate

Systemtic Name: 3-(2-methyl-5-nitro-imidazol-1-yl)propanoate Openeye Name: 3-(2-methyl-5-nitro-imidazol-1-yl)propanoate CAS Name: 3-(2-methyl-5-nitro-1-imidazolyl)propanoate IUPAC Name: 3-(2-methyl-5-nitroimidazol-1-yl)propanoate Traditional Name: 3-(2-methyl-5-nitro-imidazol-1-yl)propionate Formula: C7H8N3O4- MolecularWeight: 198.15612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H9N3O4/c1-5-8-4-6(10(13)14)9(5)3-2-7(11)12/h4H,2-3H2,1H3,(H,11,12)/p-1