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

Systemtic Name: 4-[4-[(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-3-oxidanylidene-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzenesulfonamide Openeye Name: 4-[4-[(3-methoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzenesulfonamide CAS Name: 4-[4-[(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzenesulfonamide IUPAC Name: 4-[4-[(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzenesulfonamide Traditional Name: 4-[5-keto-4-[(4-keto-3-methoxy-5-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]-3-(trifluoromethyl)-3-pyrazolin-1-yl]benzenesulfonamide Formula: C18H13F3N4O7S MolecularWeight: 486.37863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C(NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)C=C(C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC2=C(NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)C=C(C1=O)[N+](=O)[O-]

InChI

InChI=1S/C18H13F3N4O7S/c1-32-14-8-9(7-13(15(14)26)25(28)29)6-12-16(18(19,20)21)23-24(17(12)27)10-2-4-11(5-3-10)33(22,30)31/h2-8,23H,1H3,(H2,22,30,31)