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

Systemtic Name: methyl 3-(2-azanyl-4-nitro-imidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl 3-(2-amino-4-nitro-imidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoate CAS Name: 3-(2-amino-4-nitro-4-imidazolyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(2-amino-4-nitroimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(2-amino-4-nitro-imidazol-4-yl)-2-(tert-butoxycarbonylamino)propionic acid methyl ester Formula: C12H19N5O6 MolecularWeight: 329.30916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N5O6/c1-11(2,3)23-10(19)15-7(8(18)22-4)5-12(17(20)21)6-14-9(13)16-12/h6-7H,5H2,1-4H3,(H2,13,16)(H,15,19)