6,7-diethoxy-4-[(3-oxidanylidene-1H-2-benzofuran-5-yl)amino]quinoline-3-carbonitrile

Systemtic Name: 6,7-diethoxy-4-[(3-oxidanylidene-1H-2-benzofuran-5-yl)amino]quinoline-3-carbonitrile Openeye Name: 6,7-diethoxy-4-[(3-oxo-1H-isobenzofuran-5-yl)amino]quinoline-3-carbonitrile CAS Name: 6,7-diethoxy-4-[(3-oxo-1H-isobenzofuran-5-yl)amino]-3-quinolinecarbonitrile IUPAC Name: 6,7-diethoxy-4-[(3-oxo-1H-2-benzofuran-5-yl)amino]quinoline-3-carbonitrile Traditional Name: 6,7-diethoxy-4-[(3-ketophthalan-5-yl)amino]quinoline-3-carbonitrile Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC4=C(COC4=O)C=C3)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC4=C(COC4=O)C=C3)OCC

InChI

InChI=1S/C22H19N3O4/c1-3-27-19-8-17-18(9-20(19)28-4-2)24-11-14(10-23)21(17)25-15-6-5-13-12-29-22(26)16(13)7-15/h5-9,11H,3-4,12H2,1-2H3,(H,24,25)