N-(2-bromophenyl)-N'-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]propanediamide

Systemtic Name: N-(2-bromophenyl)-N'-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]propanediamide Openeye Name: N-(2-bromophenyl)-N'-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methyleneamino]propanediamide CAS Name: N-(2-bromophenyl)-N'-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]propanediamide IUPAC Name: N-(2-bromophenyl)-N'-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]propanediamide Traditional Name: N-(2-bromophenyl)-N'-[(3-ethoxy-4-propargyloxy-benzylidene)amino]malonamide Formula: C21H20BrN3O4 MolecularWeight: 458.3052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=O)CC(=O)NC2=CC=CC=C2Br)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=NNC(=O)CC(=O)NC2=CC=CC=C2Br)OCC#C

InChI

InChI=1S/C21H20BrN3O4/c1-3-11-29-18-10-9-15(12-19(18)28-4-2)14-23-25-21(27)13-20(26)24-17-8-6-5-7-16(17)22/h1,5-10,12,14H,4,11,13H2,2H3,(H,24,26)(H,25,27)