methyl 3-(3-methyl-5-nitro-4H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl 3-(3-methyl-5-nitro-4H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-3-(3-methyl-5-nitro-4H-imidazol-5-yl)propanoate CAS Name: 3-(3-methyl-5-nitro-4H-imidazol-5-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(3-methyl-5-nitro-4H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-(1-methyl-4-nitro-2-imidazolin-4-yl)propionic acid methyl ester Formula: C13H22N4O6 MolecularWeight: 330.33698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1(CN(C=N1)C)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1(CN(C=N1)C)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H22N4O6/c1-12(2,3)23-11(19)15-9(10(18)22-5)6-13(17(20)21)7-16(4)8-14-13/h8-9H,6-7H2,1-5H3,(H,15,19)