methyl 5-(2-nitroimidazol-1-yl)pentanoate

Systemtic Name: methyl 5-(2-nitroimidazol-1-yl)pentanoate Openeye Name: methyl 5-(2-nitroimidazol-1-yl)pentanoate CAS Name: 5-(2-nitro-1-imidazolyl)pentanoic acid methyl ester IUPAC Name: methyl 5-(2-nitroimidazol-1-yl)pentanoate Traditional Name: 5-(2-nitroimidazol-1-yl)valeric acid methyl ester Formula: C9H13N3O4 MolecularWeight: 227.21722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCN1C=CN=C1[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCCN1C=CN=C1[N+](=O)[O-]

InChI

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