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

Systemtic Name: [(E)-[4-(cyanomethyl)cyclohexa-2,4-dien-1-ylidene]amino] phenylmethanesulfonate Openeye Name: [(E)-[4-(cyanomethyl)cyclohexa-2,4-dien-1-ylidene]amino] phenylmethanesulfonate CAS Name: phenylmethanesulfonic acid [(E)-[4-(cyanomethyl)-1-cyclohexa-2,4-dienylidene]amino] ester IUPAC Name: [(E)-[4-(cyanomethyl)cyclohexa-2,4-dien-1-ylidene]amino] phenylmethanesulfonate Traditional Name: phenylmethanesulfonic acid [(E)-[4-(cyanomethyl)cyclohexa-2,4-dien-1-ylidene]amino] ester Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O3S/c16-11-10-13-6-8-15(9-7-13)17-20-21(18,19)12-14-4-2-1-3-5-14/h1-8H,9-10,12H2/b17-15-