4-acetamido-N-[(3-chloranyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]benzamide

Systemtic Name: 4-acetamido-N-[(3-chloranyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]benzamide Openeye Name: 4-acetamido-N-[(3-chloro-5-ethoxy-4-prop-2-ynoxy-phenyl)methyleneamino]benzamide CAS Name: 4-acetamido-N-[(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]benzamide IUPAC Name: 4-acetamido-N-[(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]benzamide Traditional Name: 4-acetamido-N-[(3-chloro-5-ethoxy-4-propargyloxy-benzylidene)amino]benzamide Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O4/c1-4-10-29-20-18(22)11-15(12-19(20)28-5-2)13-23-25-21(27)16-6-8-17(9-7-16)24-14(3)26/h1,6-9,11-13H,5,10H2,2-3H3,(H,24,26)(H,25,27)