2-[[3-[2-(4-nitrophenyl)sulfonylhydrazinyl]-3-oxidanylidene-propanoyl]amino]benzoic acid

Systemtic Name: 2-[[3-[2-(4-nitrophenyl)sulfonylhydrazinyl]-3-oxidanylidene-propanoyl]amino]benzoic acid Openeye Name: 2-[[3-[2-(4-nitrophenyl)sulfonylhydrazino]-3-oxo-propanoyl]amino]benzoic acid CAS Name: 2-[[3-[(4-nitrophenyl)sulfonylhydrazo]-1,3-dioxopropyl]amino]benzoic acid IUPAC Name: 2-[[3-[2-(4-nitrophenyl)sulfonylhydrazinyl]-3-oxopropanoyl]amino]benzoic acid Traditional Name: 2-[[3-keto-3-(N'-nosylhydrazino)propanoyl]amino]benzoic acid Formula: C16H14N4O8S MolecularWeight: 422.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O8S/c21-14(17-13-4-2-1-3-12(13)16(23)24)9-15(22)18-19-29(27,28)11-7-5-10(6-8-11)20(25)26/h1-8,19H,9H2,(H,17,21)(H,18,22)(H,23,24)