ethyl 3-[1-[[4-(methylamino)-3-nitro-phenyl]methyl]benzimidazol-2-yl]propanoate

Systemtic Name: ethyl 3-[1-[[4-(methylamino)-3-nitro-phenyl]methyl]benzimidazol-2-yl]propanoate Openeye Name: ethyl 3-[1-[[4-(methylamino)-3-nitro-phenyl]methyl]benzimidazol-2-yl]propanoate CAS Name: 3-[1-[[4-(methylamino)-3-nitrophenyl]methyl]-2-benzimidazolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-[[4-(methylamino)-3-nitrophenyl]methyl]benzimidazol-2-yl]propanoate Traditional Name: 3-[1-[4-(methylamino)-3-nitro-benzyl]benzimidazol-2-yl]propionic acid ethyl ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=NC2=CC=CC=C2N1CC3=CC(=C(C=C3)NC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCC1=NC2=CC=CC=C2N1CC3=CC(=C(C=C3)NC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4/c1-3-28-20(25)11-10-19-22-16-6-4-5-7-17(16)23(19)13-14-8-9-15(21-2)18(12-14)24(26)27/h4-9,12,21H,3,10-11,13H2,1-2H3