2-[[[2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[[2-[[2-(dimethylamino)-2-oxoethyl]thio]phenyl]-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoyl]amino]methyl]-4-nitro-phenolate Formula: C18H18N3O5S- MolecularWeight: 388.41762

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H19N3O5S/c1-20(2)17(23)11-27-16-6-4-3-5-14(16)18(24)19-10-12-9-13(21(25)26)7-8-15(12)22/h3-9,22H,10-11H2,1-2H3,(H,19,24)/p-1