[(E)-[2-(cyanomethyl)-5-methoxy-cyclohexa-2,4-dien-1-ylidene]amino] 2-chloranylbenzenesulfonate

Systemtic Name: [(E)-[2-(cyanomethyl)-5-methoxy-cyclohexa-2,4-dien-1-ylidene]amino] 2-chloranylbenzenesulfonate Openeye Name: [(E)-[2-(cyanomethyl)-5-methoxy-cyclohexa-2,4-dien-1-ylidene]amino] 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid [(E)-[2-(cyanomethyl)-5-methoxy-1-cyclohexa-2,4-dienylidene]amino] ester IUPAC Name: [(E)-[2-(cyanomethyl)-5-methoxycyclohexa-2,4-dien-1-ylidene]amino] 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid [(E)-[2-(cyanomethyl)-5-methoxy-cyclohexa-2,4-dien-1-ylidene]amino] ester Formula: C15H13ClN2O4S MolecularWeight: 352.79272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C(=NOS(=O)(=O)C2=CC=CC=C2Cl)C1)CC#N

Isomeric SMILES

COC1=CC=C(/C(=N/OS(=O)(=O)C2=CC=CC=C2Cl)/C1)CC#N

InChI

InChI=1S/C15H13ClN2O4S/c1-21-12-7-6-11(8-9-17)14(10-12)18-22-23(19,20)15-5-3-2-4-13(15)16/h2-7H,8,10H2,1H3/b18-14+