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

Systemtic Name: (2E)-2-(6-methyl-3-oxidanylidene-1-benzofuran-2-ylidene)-2-(4-methylpiperazin-1-yl)ethanoic acid Openeye Name: (2E)-2-(6-methyl-3-oxo-benzofuran-2-ylidene)-2-(4-methylpiperazin-1-yl)acetic acid CAS Name: (2E)-2-(6-methyl-3-oxo-2-benzofuranylidene)-2-(4-methyl-1-piperazinyl)acetic acid IUPAC Name: (2E)-2-(6-methyl-3-oxo-1-benzofuran-2-ylidene)-2-(4-methylpiperazin-1-yl)acetic acid Traditional Name: (2E)-2-(3-keto-6-methyl-coumaran-2-ylidene)-2-(4-methylpiperazino)acetic acid Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4/c1-10-3-4-11-12(9-10)22-15(14(11)19)13(16(20)21)18-7-5-17(2)6-8-18/h3-4,9H,5-8H2,1-2H3,(H,20,21)/b15-13+