methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-nitro-1H-imidazol-5-yl)propanoate

Systemtic Name: methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-nitro-1H-imidazol-5-yl)propanoate Openeye Name: methyl 2-[tert-butoxycarbonyl(methyl)amino]-3-(4-nitro-1H-imidazol-5-yl)propanoate CAS Name: 2-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-nitro-1H-imidazol-5-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-nitro-1H-imidazol-5-yl)propanoate Traditional Name: 2-[tert-butoxycarbonyl(methyl)amino]-3-(4-nitro-1H-imidazol-5-yl)propionic acid methyl ester Formula: C13H20N4O6 MolecularWeight: 328.3211

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)C(CC1=C(N=CN1)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N(C)C(CC1=C(N=CN1)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H20N4O6/c1-13(2,3)23-12(19)16(4)9(11(18)22-5)6-8-10(17(20)21)15-7-14-8/h7,9H,6H2,1-5H3,(H,14,15)