5-[[4-(4-nitrophenyl)sulfanylphenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[4-(4-nitrophenyl)sulfanylphenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(4-nitrophenyl)sulfanylanilino]-5-oxo-pentanoic acid CAS Name: 5-[4-[(4-nitrophenyl)thio]anilino]-5-oxopentanoic acid IUPAC Name: 5-[4-(4-nitrophenyl)sulfanylanilino]-5-oxopentanoic acid Traditional Name: 5-keto-5-[4-[(4-nitrophenyl)thio]anilino]valeric acid Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCCC(=O)O)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCCC(=O)O)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5S/c20-16(2-1-3-17(21)22)18-12-4-8-14(9-5-12)25-15-10-6-13(7-11-15)19(23)24/h4-11H,1-3H2,(H,18,20)(H,21,22)