(2-cyanophenyl) 1,3,4-trimethyl-2,6-bis(oxidanylidene)pyrimidine-5-sulfonate

Systemtic Name: (2-cyanophenyl) 1,3,4-trimethyl-2,6-bis(oxidanylidene)pyrimidine-5-sulfonate Openeye Name: (2-cyanophenyl) 1,3,4-trimethyl-2,6-dioxo-pyrimidine-5-sulfonate CAS Name: 1,3,4-trimethyl-2,6-dioxo-5-pyrimidinesulfonic acid (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonate Traditional Name: 2,4-diketo-1,3,6-trimethyl-pyrimidine-5-sulfonic acid (2-cyanophenyl) ester Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=O)N1C)C)S(=O)(=O)OC2=CC=CC=C2C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=O)N1C)C)S(=O)(=O)OC2=CC=CC=C2C#N

InChI

InChI=1S/C14H13N3O5S/c1-9-12(13(18)17(3)14(19)16(9)2)23(20,21)22-11-7-5-4-6-10(11)8-15/h4-7H,1-3H3