2-(4-bromanyl-2,6-dimethyl-phenoxy)-N-[(Z)-(2-oxidanylidene-1-prop-2-ynyl-indol-3-ylidene)amino]ethanamide

Systemtic Name: 2-(4-bromanyl-2,6-dimethyl-phenoxy)-N-[(Z)-(2-oxidanylidene-1-prop-2-ynyl-indol-3-ylidene)amino]ethanamide Openeye Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-N-[(Z)-(2-oxo-1-prop-2-ynyl-indolin-3-ylidene)amino]acetamide CAS Name: 2-(4-bromo-2,6-dimethylphenoxy)-N-[(Z)-(2-oxo-1-prop-2-ynyl-3-indolylidene)amino]acetamide IUPAC Name: 2-(4-bromo-2,6-dimethylphenoxy)-N-[(Z)-(2-oxo-1-prop-2-ynylindol-3-ylidene)amino]acetamide Traditional Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-N-[(Z)-(2-keto-1-propargyl-indolin-3-ylidene)amino]acetamide Formula: C21H18BrN3O3 MolecularWeight: 440.28992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NN=C2C3=CC=CC=C3N(C2=O)CC#C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)N/N=C\2/C3=CC=CC=C3N(C2=O)CC#C)C)Br

InChI

InChI=1S/C21H18BrN3O3/c1-4-9-25-17-8-6-5-7-16(17)19(21(25)27)24-23-18(26)12-28-20-13(2)10-15(22)11-14(20)3/h1,5-8,10-11H,9,12H2,2-3H3,(H,23,26)/b24-19-