4-nitro-2-[[(1-thiophen-2-ylcarbonylpiperidin-4-yl)carbonylamino]methyl]phenolate

Systemtic Name: 4-nitro-2-[[(1-thiophen-2-ylcarbonylpiperidin-4-yl)carbonylamino]methyl]phenolate Openeye Name: 4-nitro-2-[[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]methyl]phenolate CAS Name: 4-nitro-2-[[[oxo-[1-[oxo(thiophen-2-yl)methyl]-4-piperidinyl]methyl]amino]methyl]phenolate IUPAC Name: 4-nitro-2-[[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]methyl]phenolate Traditional Name: 4-nitro-2-[[[1-(2-thenoyl)isonipecotoyl]amino]methyl]phenolate Formula: C18H18N3O5S- MolecularWeight: 388.41762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C(=O)C3=CC=CS3

InChI

InChI=1S/C18H19N3O5S/c22-15-4-3-14(21(25)26)10-13(15)11-19-17(23)12-5-7-20(8-6-12)18(24)16-2-1-9-27-16/h1-4,9-10,12,22H,5-8,11H2,(H,19,23)/p-1