3-[3-methyl-4-[(2E)-2-(4-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 3-[3-methyl-4-[(2E)-2-(4-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonamide Openeye Name: 3-[3-methyl-4-[(2E)-2-(4-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]-5-oxo-4H-pyrazol-1-yl]benzenesulfonamide CAS Name: 3-[3-methyl-4-[(2E)-2-(4-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonamide IUPAC Name: 3-[3-methyl-4-[(2E)-2-(4-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonamide Traditional Name: 3-[5-keto-4-[(N'E)-N'-(6-keto-4-nitro-cyclohexa-2,4-dien-1-ylidene)hydrazino]-3-methyl-2-pyrazolin-1-yl]benzenesulfonamide Formula: C16H14N6O6S MolecularWeight: 418.38396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1NN=C2C=CC(=CC2=O)[N+](=O)[O-])C3=CC(=CC=C3)S(=O)(=O)N

Isomeric SMILES

CC1=NN(C(=O)C1N/N=C/2\C=CC(=CC2=O)[N+](=O)[O-])C3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C16H14N6O6S/c1-9-15(19-18-13-6-5-11(22(25)26)8-14(13)23)16(24)21(20-9)10-3-2-4-12(7-10)29(17,27)28/h2-8,15,19H,1H3,(H2,17,27,28)/b18-13+