2-[[2-(3,4-dimethylphenyl)sulfanylethanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-(3,4-dimethylphenyl)sulfanylethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-[(3,4-dimethylphenyl)thio]-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-[(3,4-dimethylphenyl)thio]acetyl]amino]methyl]-4-nitro-phenolate Formula: C17H17N2O4S- MolecularWeight: 345.39288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C

InChI

InChI=1S/C17H18N2O4S/c1-11-3-5-15(7-12(11)2)24-10-17(21)18-9-13-8-14(19(22)23)4-6-16(13)20/h3-8,20H,9-10H2,1-2H3,(H,18,21)/p-1