2-[2-[3-methyl-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]hydrazinyl]benzoate

Systemtic Name: 2-[2-[3-methyl-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]hydrazinyl]benzoate Openeye Name: 2-[2-[3-methyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]hydrazino]benzoate CAS Name: 2-[2-[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4-pyrazolylidene]hydrazinyl]benzoate IUPAC Name: 2-[2-[3-methyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]hydrazinyl]benzoate Traditional Name: 2-[N'-[5-keto-3-methyl-1-(4-sulfonatophenyl)-2-pyrazolin-4-ylidene]hydrazino]benzoate Formula: C17H12N4O6S-2 MolecularWeight: 400.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=CC=C2C(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=NNC2=CC=CC=C2C(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C17H14N4O6S/c1-10-15(19-18-14-5-3-2-4-13(14)17(23)24)16(22)21(20-10)11-6-8-12(9-7-11)28(25,26)27/h2-9,18H,1H3,(H,23,24)(H,25,26,27)/p-2