ethyl (3R)-3-(2-chlorophenyl)-3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethanoylamino]propanoate

Systemtic Name: ethyl (3R)-3-(2-chlorophenyl)-3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethanoylamino]propanoate Openeye Name: ethyl (3R)-3-(2-chlorophenyl)-3-[[2-(2-methyl-5-nitro-imidazol-1-yl)acetyl]amino]propanoate CAS Name: (3R)-3-(2-chlorophenyl)-3-[[2-(2-methyl-5-nitro-1-imidazolyl)-1-oxoethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (3R)-3-(2-chlorophenyl)-3-[[2-(2-methyl-5-nitroimidazol-1-yl)acetyl]amino]propanoate Traditional Name: (3R)-3-(2-chlorophenyl)-3-[[2-(2-methyl-5-nitro-imidazol-1-yl)acetyl]amino]propionic acid ethyl ester Formula: C17H19ClN4O5 MolecularWeight: 394.80956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1Cl)NC(=O)CN2C(=NC=C2[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C[C@H](C1=CC=CC=C1Cl)NC(=O)CN2C(=NC=C2[N+](=O)[O-])C

InChI

InChI=1S/C17H19ClN4O5/c1-3-27-17(24)8-14(12-6-4-5-7-13(12)18)20-15(23)10-21-11(2)19-9-16(21)22(25)26/h4-7,9,14H,3,8,10H2,1-2H3,(H,20,23)/t14-/m1/s1