4-nitro-2-[[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]methyl]phenolate

Systemtic Name: 4-nitro-2-[[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]methyl]phenolate Openeye Name: 4-nitro-2-[[[2-(2-thienyl)quinoline-4-carbonyl]amino]methyl]phenolate CAS Name: 4-nitro-2-[[[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]amino]methyl]phenolate IUPAC Name: 4-nitro-2-[[(2-thiophen-2-ylquinoline-4-carbonyl)amino]methyl]phenolate Traditional Name: 4-nitro-2-[[[2-(2-thienyl)quinoline-4-carbonyl]amino]methyl]phenolate Formula: C21H14N3O4S- MolecularWeight: 404.41856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C21H15N3O4S/c25-19-8-7-14(24(27)28)10-13(19)12-22-21(26)16-11-18(20-6-3-9-29-20)23-17-5-2-1-4-15(16)17/h1-11,25H,12H2,(H,22,26)/p-1