3-[2-[1,3-bis(oxidanylidene)-1-phenylazanyl-butan-2-ylidene]hydrazinyl]-5-nitro-2-oxidanyl-benzenesulfonate

Systemtic Name: 3-[2-[1,3-bis(oxidanylidene)-1-phenylazanyl-butan-2-ylidene]hydrazinyl]-5-nitro-2-oxidanyl-benzenesulfonate Openeye Name: 2-hydroxy-5-nitro-3-[2-[2-oxo-1-(phenylcarbamoyl)propylidene]hydrazino]benzenesulfonate CAS Name: 3-[2-(1-anilino-1,3-dioxobutan-2-ylidene)hydrazinyl]-2-hydroxy-5-nitrobenzenesulfonate IUPAC Name: 3-[2-(1-anilino-1,3-dioxobutan-2-ylidene)hydrazinyl]-2-hydroxy-5-nitrobenzenesulfonate Traditional Name: 2-hydroxy-3-[N'-[2-keto-1-(phenylcarbamoyl)propylidene]hydrazino]-5-nitro-besylate Formula: C16H13N4O8S- MolecularWeight: 421.36142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=NNC1=CC(=CC(=C1O)S(=O)(=O)[O-])[N+](=O)[O-])C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(=O)C(=NNC1=CC(=CC(=C1O)S(=O)(=O)[O-])[N+](=O)[O-])C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C16H14N4O8S/c1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28/h2-8,18,22H,1H3,(H,17,23)(H,26,27,28)/p-1