[4-methyl-3-nitro-2-oxidanylidene-6-[(E)-2-thiophen-2-ylethenyl]pyridin-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-methyl-3-nitro-2-oxidanylidene-6-[(E)-2-thiophen-2-ylethenyl]pyridin-1-yl] 4-methylbenzenesulfonate Openeye Name: [4-methyl-3-nitro-2-oxo-6-[(E)-2-(2-thienyl)vinyl]-1-pyridyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-methyl-3-nitro-2-oxo-6-[(E)-2-thiophen-2-ylethenyl]-1-pyridinyl] ester IUPAC Name: [4-methyl-3-nitro-2-oxo-6-[(E)-2-thiophen-2-ylethenyl]pyridin-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-4-methyl-3-nitro-6-[(E)-2-(2-thienyl)vinyl]-1-pyridyl] ester Formula: C19H16N2O6S2 MolecularWeight: 432.47014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=CC(=C(C2=O)[N+](=O)[O-])C)C=CC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=CC(=C(C2=O)[N+](=O)[O-])C)/C=C/C3=CC=CS3

InChI

InChI=1S/C19H16N2O6S2/c1-13-5-9-17(10-6-13)29(25,26)27-20-15(7-8-16-4-3-11-28-16)12-14(2)18(19(20)22)21(23)24/h3-12H,1-2H3/b8-7+