5-nitro-6-oxidanylidene-2-[2-(2-thiophen-2-ylquinolin-4-yl)carbonylhydrazinyl]-1H-pyrimidin-4-olate

Systemtic Name: 5-nitro-6-oxidanylidene-2-[2-(2-thiophen-2-ylquinolin-4-yl)carbonylhydrazinyl]-1H-pyrimidin-4-olate Openeye Name: 5-nitro-6-oxo-2-[2-[2-(2-thienyl)quinoline-4-carbonyl]hydrazino]-1H-pyrimidin-4-olate CAS Name: 5-nitro-6-oxo-2-[[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]hydrazo]-1H-pyrimidin-4-olate IUPAC Name: 5-nitro-6-oxo-2-[2-(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinyl]-1H-pyrimidin-4-olate Traditional Name: 6-keto-5-nitro-2-[N'-[2-(2-thienyl)quinoline-4-carbonyl]hydrazino]-1H-pyrimidin-4-olate Formula: C18H11N6O5S- MolecularWeight: 423.38214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NNC4=NC(=C(C(=O)N4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NNC4=NC(=C(C(=O)N4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H12N6O5S/c25-15(22-23-18-20-16(26)14(24(28)29)17(27)21-18)10-8-12(13-6-3-7-30-13)19-11-5-2-1-4-9(10)11/h1-8H,(H,22,25)(H3,20,21,23,26,27)/p-1