2-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(3-nitroanilino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(3-nitroanilino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(3-nitroanilino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(3-nitroanilino)ethyl]thio]benzoic acid Formula: C15H12N2O5S MolecularWeight: 332.33118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O5S/c18-14(16-10-4-3-5-11(8-10)17(21)22)9-23-13-7-2-1-6-12(13)15(19)20/h1-8H,9H2,(H,16,18)(H,19,20)