2-[4-[(4-methylphenyl)carbamoyl]-2-nitro-phenyl]sulfanylethanoate

Systemtic Name: 2-[4-[(4-methylphenyl)carbamoyl]-2-nitro-phenyl]sulfanylethanoate Openeye Name: 2-[2-nitro-4-(p-tolylcarbamoyl)phenyl]sulfanylacetate CAS Name: 2-[[4-[(4-methylanilino)-oxomethyl]-2-nitrophenyl]thio]acetate IUPAC Name: 2-[4-[(4-methylphenyl)carbamoyl]-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[2-nitro-4-(p-tolylcarbamoyl)phenyl]thio]acetate Formula: C16H13N2O5S- MolecularWeight: 345.34982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O5S/c1-10-2-5-12(6-3-10)17-16(21)11-4-7-14(24-9-15(19)20)13(8-11)18(22)23/h2-8H,9H2,1H3,(H,17,21)(H,19,20)/p-1