(phenylmethyl) N-[1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: benzyl N-[1-benzyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]-2-oxo-ethyl]carbamate CAS Name: N-[1-[2-(2-methyl-5-nitro-1-imidazolyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[2-(2-methyl-5-nitroimidazol-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-keto-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]ethyl]carbamic acid benzyl ester Formula: C23H25N5O5 MolecularWeight: 451.4751

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCNC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCNC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O5/c1-17-25-15-21(28(31)32)27(17)13-12-24-22(29)20(14-18-8-4-2-5-9-18)26-23(30)33-16-19-10-6-3-7-11-19/h2-11,15,20H,12-14,16H2,1H3,(H,24,29)(H,26,30)