ethyl (2E)-2-(4-methylpiperazin-1-yl)-2-(6-oxidanyl-3-oxidanylidene-1-benzofuran-2-ylidene)ethanoate

Systemtic Name: ethyl (2E)-2-(4-methylpiperazin-1-yl)-2-(6-oxidanyl-3-oxidanylidene-1-benzofuran-2-ylidene)ethanoate Openeye Name: ethyl (2E)-2-(6-hydroxy-3-oxo-benzofuran-2-ylidene)-2-(4-methylpiperazin-1-yl)acetate CAS Name: (2E)-2-(6-hydroxy-3-oxo-2-benzofuranylidene)-2-(4-methyl-1-piperazinyl)acetic acid ethyl ester IUPAC Name: ethyl (2E)-2-(6-hydroxy-3-oxo-1-benzofuran-2-ylidene)-2-(4-methylpiperazin-1-yl)acetate Traditional Name: (2E)-2-(6-hydroxy-3-keto-coumaran-2-ylidene)-2-(4-methylpiperazino)acetic acid ethyl ester Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1C(=O)C2=C(O1)C=C(C=C2)O)N3CCN(CC3)C

Isomeric SMILES

CCOC(=O)/C(=C\1/C(=O)C2=C(O1)C=C(C=C2)O)/N3CCN(CC3)C

InChI

InChI=1S/C17H20N2O5/c1-3-23-17(22)14(19-8-6-18(2)7-9-19)16-15(21)12-5-4-11(20)10-13(12)24-16/h4-5,10,20H,3,6-9H2,1-2H3/b16-14+