[(E)-[cyano-[4-(cyanomethyl)phenyl]methylidene]amino] 4-methoxybenzenesulfonate

Systemtic Name: [(E)-[cyano-[4-(cyanomethyl)phenyl]methylidene]amino] 4-methoxybenzenesulfonate Openeye Name: [(E)-[cyano-[4-(cyanomethyl)phenyl]methylene]amino] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [(E)-[cyano-[4-(cyanomethyl)phenyl]methylidene]amino] ester IUPAC Name: [(E)-[cyano-[4-(cyanomethyl)phenyl]methylidene]amino] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [(E)-[cyano-[4-(cyanomethyl)phenyl]methylene]amino] ester Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)ON=C(C#N)C2=CC=C(C=C2)CC#N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)O/N=C(/C#N)\C2=CC=C(C=C2)CC#N

InChI

InChI=1S/C17H13N3O4S/c1-23-15-6-8-16(9-7-15)25(21,22)24-20-17(12-19)14-4-2-13(3-5-14)10-11-18/h2-9H,10H2,1H3/b20-17-