[(E)-[4-(2-cyanoethanoyl)cyclohexa-2,4-dien-1-ylidene]amino] phenylmethanesulfonate

Systemtic Name: [(E)-[4-(2-cyanoethanoyl)cyclohexa-2,4-dien-1-ylidene]amino] phenylmethanesulfonate Openeye Name: [(E)-[4-(2-cyanoacetyl)cyclohexa-2,4-dien-1-ylidene]amino] phenylmethanesulfonate CAS Name: phenylmethanesulfonic acid [(E)-[4-(2-cyano-1-oxoethyl)-1-cyclohexa-2,4-dienylidene]amino] ester IUPAC Name: [(E)-[4-(2-cyanoacetyl)cyclohexa-2,4-dien-1-ylidene]amino] phenylmethanesulfonate Traditional Name: phenylmethanesulfonic acid [(E)-[4-(2-cyanoacetyl)cyclohexa-2,4-dien-1-ylidene]amino] ester Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=CC1=NOS(=O)(=O)CC2=CC=CC=C2)C(=O)CC#N

Isomeric SMILES

C\1C=C(C=C/C1=N/OS(=O)(=O)CC2=CC=CC=C2)C(=O)CC#N

InChI

InChI=1S/C16H14N2O4S/c17-11-10-16(19)14-6-8-15(9-7-14)18-22-23(20,21)12-13-4-2-1-3-5-13/h1-8H,9-10,12H2/b18-15-