4-[(2E)-2-[3-(2-azidosulfonylethylcarbamoyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]hydrazinyl]benzoic acid

Systemtic Name: 4-[(2E)-2-[3-(2-azidosulfonylethylcarbamoyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]hydrazinyl]benzoic acid Openeye Name: 4-[(2E)-2-[3-(2-azidosulfonylethylcarbamoyl)-4-oxo-cyclohexa-2,5-dien-1-ylidene]hydrazino]benzoic acid CAS Name: 4-[(2E)-2-[3-[(2-azidosulfonylethylamino)-oxomethyl]-4-oxo-1-cyclohexa-2,5-dienylidene]hydrazinyl]benzoic acid IUPAC Name: 4-[(2E)-2-[3-(2-azidosulfonylethylcarbamoyl)-4-oxocyclohexa-2,5-dien-1-ylidene]hydrazinyl]benzoic acid Traditional Name: 4-[(N'E)-N'-[3-(2-azidosulfonylethylcarbamoyl)-4-keto-cyclohexa-2,5-dien-1-ylidene]hydrazino]benzoic acid Formula: C16H14N6O6S MolecularWeight: 418.38396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NN=C2C=CC(=O)C(=C2)C(=O)NCCS(=O)(=O)N=[N+]=[N-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N/N=C/2\C=CC(=O)C(=C2)C(=O)NCCS(=O)(=O)N=[N+]=[N-]

InChI

InChI=1S/C16H14N6O6S/c17-21-22-29(27,28)8-7-18-15(24)13-9-12(5-6-14(13)23)20-19-11-3-1-10(2-4-11)16(25)26/h1-6,9,19H,7-8H2,(H,18,24)(H,25,26)/b20-12+