2-[4-(6-chloranyl-2-ethyl-5-nitro-benzimidazol-1-yl)phenyl]ethyl propanoate

Systemtic Name: 2-[4-(6-chloranyl-2-ethyl-5-nitro-benzimidazol-1-yl)phenyl]ethyl propanoate Openeye Name: 2-[4-(6-chloro-2-ethyl-5-nitro-benzimidazol-1-yl)phenyl]ethyl propanoate CAS Name: propanoic acid 2-[4-(6-chloro-2-ethyl-5-nitro-1-benzimidazolyl)phenyl]ethyl ester IUPAC Name: 2-[4-(6-chloro-2-ethyl-5-nitrobenzimidazol-1-yl)phenyl]ethyl propanoate Traditional Name: propionic acid 2-[4-(6-chloro-2-ethyl-5-nitro-benzimidazol-1-yl)phenyl]ethyl ester Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC(=C(C=C2N1C3=CC=C(C=C3)CCOC(=O)CC)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC2=CC(=C(C=C2N1C3=CC=C(C=C3)CCOC(=O)CC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN3O4/c1-3-19-22-16-12-17(24(26)27)15(21)11-18(16)23(19)14-7-5-13(6-8-14)9-10-28-20(25)4-2/h5-8,11-12H,3-4,9-10H2,1-2H3