3-oxidanylidene-6-[[2-[2-(2-pyridin-2-yl-3H-benzimidazol-1-ium-1-yl)ethanoyl]hydrazinyl]methylidene]cyclohexa-1,4-dien-1-olate

Systemtic Name: 3-oxidanylidene-6-[[2-[2-(2-pyridin-2-yl-3H-benzimidazol-1-ium-1-yl)ethanoyl]hydrazinyl]methylidene]cyclohexa-1,4-dien-1-olate Openeye Name: 3-oxo-6-[[2-[2-[2-(2-pyridyl)-3H-benzimidazol-1-ium-1-yl]acetyl]hydrazino]methylene]cyclohexa-1,4-dien-1-olate CAS Name: 3-oxo-6-[[[1-oxo-2-[2-(2-pyridinyl)-3H-benzimidazol-1-ium-1-yl]ethyl]hydrazo]methylidene]-1-cyclohexa-1,4-dienolate IUPAC Name: 3-oxo-6-[[2-[2-(2-pyridin-2-yl-3H-benzimidazol-1-ium-1-yl)acetyl]hydrazinyl]methylidene]cyclohexa-1,4-dien-1-olate Traditional Name: 3-keto-6-[[N'-[2-[2-(2-pyridyl)-3H-benzimidazol-1-ium-1-yl]acetyl]hydrazino]methylene]cyclohexa-1,4-dien-1-olate Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[N+]2CC(=O)NNC=C3C=CC(=O)C=C3[O-])C4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[N+]2CC(=O)NNC=C3C=CC(=O)C=C3[O-])C4=CC=CC=N4

InChI

InChI=1S/C21H17N5O3/c27-15-9-8-14(19(28)11-15)12-23-25-20(29)13-26-18-7-2-1-5-16(18)24-21(26)17-6-3-4-10-22-17/h1-12H,13H2,(H3,22,23,24,25,27,28,29)