N-[(E)-(5-bromanyl-2-oxidanylidene-1-prop-2-ynyl-indol-3-ylidene)amino]-6-tert-butyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[(E)-(5-bromanyl-2-oxidanylidene-1-prop-2-ynyl-indol-3-ylidene)amino]-6-tert-butyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[(E)-(5-bromo-2-oxo-1-prop-2-ynyl-indolin-3-ylidene)amino]-6-tert-butyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[(E)-(5-bromo-2-oxo-1-prop-2-ynyl-3-indolylidene)amino]-6-tert-butyl-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[(E)-(5-bromo-2-oxo-1-prop-2-ynylindol-3-ylidene)amino]-6-tert-butyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[(E)-(5-bromo-2-keto-1-propargyl-indolin-3-ylidene)amino]-6-tert-butyl-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C24H22BrN3O4 MolecularWeight: 496.35318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OCC(O2)C(=O)NN=C3C4=C(C=CC(=C4)Br)N(C3=O)CC#C

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OCC(O2)C(=O)N/N=C/3\C4=C(C=CC(=C4)Br)N(C3=O)CC#C

InChI

InChI=1S/C24H22BrN3O4/c1-5-10-28-17-8-7-15(25)12-16(17)21(23(28)30)26-27-22(29)20-13-31-18-9-6-14(24(2,3)4)11-19(18)32-20/h1,6-9,11-12,20H,10,13H2,2-4H3,(H,27,29)/b26-21+