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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-N'-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]propanediamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-N'-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methyleneamino]propanediamide CAS Name: N-(3-chloro-4-methylphenyl)-N'-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]propanediamide IUPAC Name: N-(3-chloro-4-methylphenyl)-N'-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]propanediamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-N'-[(3-ethoxy-4-propargyloxy-benzylidene)amino]malonamide Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=O)CC(=O)NC2=CC(=C(C=C2)C)Cl)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=NNC(=O)CC(=O)NC2=CC(=C(C=C2)C)Cl)OCC#C

InChI

InChI=1S/C22H22ClN3O4/c1-4-10-30-19-9-7-16(11-20(19)29-5-2)14-24-26-22(28)13-21(27)25-17-8-6-15(3)18(23)12-17/h1,6-9,11-12,14H,5,10,13H2,2-3H3,(H,25,27)(H,26,28)