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

Systemtic Name: [(E)-[2-(cyanomethyl)cyclohexa-2,4-dien-1-ylidene]amino] 4-nitrobenzenesulfonate Openeye Name: [(E)-[2-(cyanomethyl)cyclohexa-2,4-dien-1-ylidene]amino] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(E)-[2-(cyanomethyl)-1-cyclohexa-2,4-dienylidene]amino] ester IUPAC Name: [(E)-[2-(cyanomethyl)cyclohexa-2,4-dien-1-ylidene]amino] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(E)-[2-(cyanomethyl)cyclohexa-2,4-dien-1-ylidene]amino] ester Formula: C14H11N3O5S MolecularWeight: 333.31924

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C(C1=NOS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC#N

Isomeric SMILES

C\1C=CC=C(/C1=N/OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC#N

InChI

InChI=1S/C14H11N3O5S/c15-10-9-11-3-1-2-4-14(11)16-22-23(20,21)13-7-5-12(6-8-13)17(18)19/h1-3,5-8H,4,9H2/b16-14+