5-[(2E)-2-(1-cyano-2-ethoxy-2-oxidanylidene-ethylidene)hydrazinyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(2E)-2-(1-cyano-2-ethoxy-2-oxidanylidene-ethylidene)hydrazinyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(2E)-2-(1-cyano-2-ethoxy-2-oxo-ethylidene)hydrazino]benzene-1,3-dicarboxylic acid CAS Name: 5-[(2E)-2-(1-cyano-2-ethoxy-2-oxoethylidene)hydrazinyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(2E)-2-(1-cyano-2-ethoxy-2-oxoethylidene)hydrazinyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(N'E)-N'-(1-cyano-2-ethoxy-2-keto-ethylidene)hydrazino]isophthalic acid Formula: C13H11N3O6 MolecularWeight: 305.24294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NNC1=CC(=CC(=C1)C(=O)O)C(=O)O)C#N

Isomeric SMILES

CCOC(=O)/C(=N/NC1=CC(=CC(=C1)C(=O)O)C(=O)O)/C#N

InChI

InChI=1S/C13H11N3O6/c1-2-22-13(21)10(6-14)16-15-9-4-7(11(17)18)3-8(5-9)12(19)20/h3-5,15H,2H2,1H3,(H,17,18)(H,19,20)/b16-10+