2-[2-[(2,4-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[(2,4-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(2,4-dimethyl-6-nitro-anilino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(2,4-dimethyl-6-nitroanilino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(2,4-dimethyl-6-nitroanilino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(2,4-dimethyl-6-nitro-anilino)-2-keto-ethyl]thio]benzoic acid Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)CSC2=CC=CC=C2C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)CSC2=CC=CC=C2C(=O)O)C

InChI

InChI=1S/C17H16N2O5S/c1-10-7-11(2)16(13(8-10)19(23)24)18-15(20)9-25-14-6-4-3-5-12(14)17(21)22/h3-8H,9H2,1-2H3,(H,18,20)(H,21,22)