4-[(2E)-2-[1-cyano-2-(methylamino)-2-oxidanylidene-ethylidene]hydrazinyl]benzoic acid

Systemtic Name: 4-[(2E)-2-[1-cyano-2-(methylamino)-2-oxidanylidene-ethylidene]hydrazinyl]benzoic acid Openeye Name: 4-[(2E)-2-[1-cyano-2-(methylamino)-2-oxo-ethylidene]hydrazino]benzoic acid CAS Name: 4-[(2E)-2-[1-cyano-2-(methylamino)-2-oxoethylidene]hydrazinyl]benzoic acid IUPAC Name: 4-[(2E)-2-[1-cyano-2-(methylamino)-2-oxoethylidene]hydrazinyl]benzoic acid Traditional Name: 4-[(N'E)-N'-[1-cyano-2-keto-2-(methylamino)ethylidene]hydrazino]benzoic acid Formula: C11H10N4O3 MolecularWeight: 246.2221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N4O3/c1-13-10(16)9(6-12)15-14-8-4-2-7(3-5-8)11(17)18/h2-5,14H,1H3,(H,13,16)(H,17,18)/b15-9+