diethyl 2-bromanyl-2-[[5-nitro-1-(phenylmethyl)imidazol-4-yl]carbonylamino]propanedioate

Systemtic Name: diethyl 2-bromanyl-2-[[5-nitro-1-(phenylmethyl)imidazol-4-yl]carbonylamino]propanedioate Openeye Name: diethyl 2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)amino]-2-bromo-propanedioate CAS Name: 2-bromo-2-[[[5-nitro-1-(phenylmethyl)-4-imidazolyl]-oxomethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1-benzyl-5-nitroimidazole-4-carbonyl)amino]-2-bromopropanedioate Traditional Name: 2-[(1-benzyl-5-nitro-imidazole-4-carbonyl)amino]-2-bromo-malonic acid diethyl ester Formula: C18H19BrN4O7 MolecularWeight: 483.27006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)(NC(=O)C1=C(N(C=N1)CC2=CC=CC=C2)[N+](=O)[O-])Br

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)(NC(=O)C1=C(N(C=N1)CC2=CC=CC=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C18H19BrN4O7/c1-3-29-16(25)18(19,17(26)30-4-2)21-14(24)13-15(23(27)28)22(11-20-13)10-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,21,24)