2-[[3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[3-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[[3-[[2-(3-nitrophenyl)-2-oxoethyl]thio]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[3-[[2-keto-2-(3-nitrophenyl)ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C22H16N2O6S MolecularWeight: 436.43724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H16N2O6S/c25-20(14-5-3-7-16(11-14)24(29)30)13-31-17-8-4-6-15(12-17)23-21(26)18-9-1-2-10-19(18)22(27)28/h1-12H,13H2,(H,23,26)(H,27,28)