ethyl (2S)-2-[2-(3-chlorophenyl)-6-nitro-benzimidazol-1-yl]oxypropanoate

Systemtic Name: ethyl (2S)-2-[2-(3-chlorophenyl)-6-nitro-benzimidazol-1-yl]oxypropanoate Openeye Name: ethyl (2S)-2-[2-(3-chlorophenyl)-6-nitro-benzimidazol-1-yl]oxypropanoate CAS Name: (2S)-2-[[2-(3-chlorophenyl)-6-nitro-1-benzimidazolyl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[2-(3-chlorophenyl)-6-nitrobenzimidazol-1-yl]oxypropanoate Traditional Name: (2S)-2-[2-(3-chlorophenyl)-6-nitro-benzimidazol-1-yl]oxypropionic acid ethyl ester Formula: C18H16ClN3O5 MolecularWeight: 389.78974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)ON1C2=C(C=CC(=C2)[N+](=O)[O-])N=C1C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)[C@H](C)ON1C2=C(C=CC(=C2)[N+](=O)[O-])N=C1C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H16ClN3O5/c1-3-26-18(23)11(2)27-21-16-10-14(22(24)25)7-8-15(16)20-17(21)12-5-4-6-13(19)9-12/h4-11H,3H2,1-2H3/t11-/m0/s1