2-[[(4E)-4-[(5-bromanylpyridin-2-yl)hydrazinylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]amino]propanedioic acid

Systemtic Name: 2-[[(4E)-4-[(5-bromanylpyridin-2-yl)hydrazinylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]amino]propanedioic acid Openeye Name: 2-[[(4E)-4-[(5-bromo-2-pyridyl)hydrazono]-3-oxo-cyclohexa-1,5-dien-1-yl]amino]propanedioic acid CAS Name: 2-[[(4E)-4-[(5-bromo-2-pyridinyl)hydrazinylidene]-3-oxo-1-cyclohexa-1,5-dienyl]amino]propanedioic acid IUPAC Name: 2-[[(4E)-4-[(5-bromopyridin-2-yl)hydrazinylidene]-3-oxocyclohexa-1,5-dien-1-yl]amino]propanedioic acid Traditional Name: 2-[[(4E)-4-[(5-bromo-2-pyridyl)hydrazono]-3-keto-cyclohexa-1,5-dien-1-yl]amino]malonic acid Formula: C14H11BrN4O5 MolecularWeight: 395.16494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NNC2=NC=C(C=C2)Br)C(=O)C=C1NC(C(=O)O)C(=O)O

Isomeric SMILES

C1=C/C(=N\NC2=NC=C(C=C2)Br)/C(=O)C=C1NC(C(=O)O)C(=O)O

InChI

InChI=1S/C14H11BrN4O5/c15-7-1-4-11(16-6-7)19-18-9-3-2-8(5-10(9)20)17-12(13(21)22)14(23)24/h1-6,12,17H,(H,16,19)(H,21,22)(H,23,24)/b18-9+