ethyl (2E)-2-[[[4-(1H-benzimidazol-2-yl)phenyl]amino]methylidene]-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2E)-2-[[[4-(1H-benzimidazol-2-yl)phenyl]amino]methylidene]-3-oxidanylidene-butanoate Openeye Name: ethyl (2E)-2-[[4-(1H-benzimidazol-2-yl)anilino]methylene]-3-oxo-butanoate CAS Name: (2E)-2-[[4-(1H-benzimidazol-2-yl)anilino]methylidene]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-[[4-(1H-benzimidazol-2-yl)anilino]methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-[4-(1H-benzimidazol-2-yl)anilino]acrylic acid ethyl ester Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2)C(=O)C

Isomeric SMILES

CCOC(=O)/C(=C/NC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2)/C(=O)C

InChI

InChI=1S/C20H19N3O3/c1-3-26-20(25)16(13(2)24)12-21-15-10-8-14(9-11-15)19-22-17-6-4-5-7-18(17)23-19/h4-12,21H,3H2,1-2H3,(H,22,23)/b16-12+