methyl 3-methyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]butanoate

Systemtic Name: methyl 3-methyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]butanoate Openeye Name: methyl 3-methyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]butanoate CAS Name: 3-methyl-2-[[3-(4-nitro-1-imidazolyl)-1-oxopropyl]amino]butanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]butanoate Traditional Name: 3-methyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]butyric acid methyl ester Formula: C12H18N4O5 MolecularWeight: 298.29512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)CCN1C=C(N=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)CCN1C=C(N=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H18N4O5/c1-8(2)11(12(18)21-3)14-10(17)4-5-15-6-9(13-7-15)16(19)20/h6-8,11H,4-5H2,1-3H3,(H,14,17)