2-[[2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-[2-(4-chloroanilino)-2-oxo-ethyl]sulfanylacetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-[[2-(4-chloroanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-[[2-(4-chloroanilino)-2-keto-ethyl]thio]acetyl]amino]methyl]-4-nitro-phenolate Formula: C17H15ClN3O5S- MolecularWeight: 408.8361

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])Cl

InChI

InChI=1S/C17H16ClN3O5S/c18-12-1-3-13(4-2-12)20-17(24)10-27-9-16(23)19-8-11-7-14(21(25)26)5-6-15(11)22/h1-7,22H,8-10H2,(H,19,23)(H,20,24)/p-1