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

Systemtic Name: methyl (2E)-2-(6-methyl-3-oxidanylidene-1-benzofuran-2-ylidene)-2-(4-methylpiperazin-1-yl)ethanoate Openeye Name: methyl (2E)-2-(6-methyl-3-oxo-benzofuran-2-ylidene)-2-(4-methylpiperazin-1-yl)acetate CAS Name: (2E)-2-(6-methyl-3-oxo-2-benzofuranylidene)-2-(4-methyl-1-piperazinyl)acetic acid methyl ester IUPAC Name: methyl (2E)-2-(6-methyl-3-oxo-1-benzofuran-2-ylidene)-2-(4-methylpiperazin-1-yl)acetate Traditional Name: (2E)-2-(3-keto-6-methyl-coumaran-2-ylidene)-2-(4-methylpiperazino)acetic acid methyl ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)C(=C(C(=O)OC)N3CCN(CC3)C)O2

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)/C(=C(/C(=O)OC)\N3CCN(CC3)C)/O2

InChI

InChI=1S/C17H20N2O4/c1-11-4-5-12-13(10-11)23-16(15(12)20)14(17(21)22-3)19-8-6-18(2)7-9-19/h4-5,10H,6-9H2,1-3H3/b16-14+