[(E)-[cyano-(3-methoxyphenyl)methylidene]amino] 4-methylbenzenesulfonate

Systemtic Name: [(E)-[cyano-(3-methoxyphenyl)methylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(E)-[cyano-(3-methoxyphenyl)methylene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-[cyano-(3-methoxyphenyl)methylidene]amino] ester IUPAC Name: [(E)-[cyano-(3-methoxyphenyl)methylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-[cyano-(3-methoxyphenyl)methylene]amino] ester Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C(C#N)C2=CC(=CC=C2)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C(/C#N)\C2=CC(=CC=C2)OC

InChI

InChI=1S/C16H14N2O4S/c1-12-6-8-15(9-7-12)23(19,20)22-18-16(11-17)13-4-3-5-14(10-13)21-2/h3-10H,1-2H3/b18-16-