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

Systemtic Name: [(E)-[2-(cyanomethyl)-5-methoxy-cyclohexa-2,4-dien-1-ylidene]amino] benzenesulfonate Openeye Name: [(E)-[2-(cyanomethyl)-5-methoxy-cyclohexa-2,4-dien-1-ylidene]amino] benzenesulfonate CAS Name: benzenesulfonic 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] benzenesulfonate Traditional Name: benzenesulfonic acid [(E)-[2-(cyanomethyl)-5-methoxy-cyclohexa-2,4-dien-1-ylidene]amino] ester Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O4S/c1-20-13-8-7-12(9-10-16)15(11-13)17-21-22(18,19)14-5-3-2-4-6-14/h2-8H,9,11H2,1H3/b17-15+