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

Systemtic Name: [(E)-[2-(cyanomethyl)-5-methoxy-cyclohexa-2,4-dien-1-ylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(E)-[2-(cyanomethyl)-5-methoxy-cyclohexa-2,4-dien-1-ylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic 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] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-[2-(cyanomethyl)-5-methoxy-cyclohexa-2,4-dien-1-ylidene]amino] ester Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C2CC(=CC=C2CC#N)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C/2\CC(=CC=C2CC#N)OC

InChI

InChI=1S/C16H16N2O4S/c1-12-3-7-15(8-4-12)23(19,20)22-18-16-11-14(21-2)6-5-13(16)9-10-17/h3-8H,9,11H2,1-2H3/b18-16+